ethyl 3-[(4-aminocarbonyl-2-nitro-phenyl)amino]butanoate

Systemtic Name: ethyl 3-[(4-aminocarbonyl-2-nitro-phenyl)amino]butanoate Openeye Name: ethyl 3-(4-carbamoyl-2-nitro-anilino)butanoate CAS Name: 3-(4-carbamoyl-2-nitroanilino)butanoic acid ethyl ester IUPAC Name: ethyl 3-(4-carbamoyl-2-nitroanilino)butanoate Traditional Name: 3-(4-carbamoyl-2-nitro-anilino)butyric acid ethyl ester Formula: C13H17N3O5 MolecularWeight: 295.29118

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C)NC1=C(C=C(C=C1)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CC(C)NC1=C(C=C(C=C1)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C13H17N3O5/c1-3-21-12(17)6-8(2)15-10-5-4-9(13(14)18)7-11(10)16(19)20/h4-5,7-8,15H,3,6H2,1-2H3,(H2,14,18)