ethyl 2-[[4-[(3-nitrophenyl)amino]-4-oxidanylidene-butanoyl]amino]-3-oxidanyl-3-phenyl-propanoate

Systemtic Name: ethyl 2-[[4-[(3-nitrophenyl)amino]-4-oxidanylidene-butanoyl]amino]-3-oxidanyl-3-phenyl-propanoate Openeye Name: ethyl 3-hydroxy-2-[[4-(3-nitroanilino)-4-oxo-butanoyl]amino]-3-phenyl-propanoate CAS Name: 3-hydroxy-2-[[4-(3-nitroanilino)-1,4-dioxobutyl]amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl 3-hydroxy-2-[[4-(3-nitroanilino)-4-oxobutanoyl]amino]-3-phenylpropanoate Traditional Name: 3-hydroxy-2-[[4-keto-4-(3-nitroanilino)butanoyl]amino]-3-phenyl-propionic acid ethyl ester Formula: C21H23N3O7 MolecularWeight: 429.42322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O7/c1-2-31-21(28)19(20(27)14-7-4-3-5-8-14)23-18(26)12-11-17(25)22-15-9-6-10-16(13-15)24(29)30/h3-10,13,19-20,27H,2,11-12H2,1H3,(H,22,25)(H,23,26)