ethyl 2-[(4-methylphenyl)amino]-5-(3-nitrophenyl)-1H-pyrrole-3-carboxylate

ethyl 2-[(4-methylphenyl)amino]-5-(3-nitrophenyl)-1H-pyrrole-3-carboxylate

CAS: 338419-80-0

Formula: C20H19N3O4

SMILES: CCOC(=O)C1=C(NC2=CC=C(C)C=C2)NC(=C1)C1=CC=CC(=C1)[N+]([O-])=O

IUPAC: ethyl 2-[(4-methylphenyl)amino]-5-(3-nitrophenyl)-1H-pyrrole-3-carboxylate

InChI: InChI=1S/C20H19N3O4/c1-3-27-20(24)17-12-18(14-5-4-6-16(11-14)23(25)26)22-19(17)21-15-9-7-13(2)8-10-15/h4-12,21-22H,3H2,1-2H3

Composition: C (65.74%), H (5.24%), N (11.50%), O (17.51%)

Molar Mass: 365.389

Atom Count: 46

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	365.137556104
Formal Charge	0
FSP3	0.15
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	ITYKVFDTOMVDCX-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	101.71
Topological Polar Surface Area	97.26
Polarizability	39.59
Ring Count	3
Rotatable Bond Count	7

Suppliers

Key Organics Ltd

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
90%	<2 Days	338419-80-0		$51.35-$524.40$51.35$63.37$86.31$524.40