1,3-diethyl 2-{[(3-nitrophenyl)amino]methylidene}propanedioate

1,3-diethyl 2-{[(3-nitrophenyl)amino]methylidene}propanedioate

CAS: 40107-10-6

Formula: C14H16N2O6

SMILES: CCOC(=O)C(=CNC1=CC(=CC=C1)[N+]([O-])=O)C(=O)OCC

IUPAC: 1,3-diethyl 2-{[(3-nitrophenyl)amino]methylidene}propanedioate

InChI: InChI=1S/C14H16N2O6/c1-3-21-13(17)12(14(18)22-4-2)9-15-10-6-5-7-11(8-10)16(19)20/h5-9,15H,3-4H2,1-2H3

Composition: C (54.54%), H (5.23%), N (9.09%), O (31.14%)

Molar Mass: 308.29

Atom Count: 38

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	308.100836243
Formal Charge	0
FSP3	0.29
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	VNKXJOYRWHAQGB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	78.69
Topological Polar Surface Area	107.77
Polarizability	29.47
Ring Count	1
Rotatable Bond Count	9

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