(2-nitrophenyl)methyl 4-[(3-nitrophenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: (2-nitrophenyl)methyl 4-[(3-nitrophenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (2-nitrophenyl)methyl 4-(3-nitroanilino)-4-oxo-butanoate CAS Name: 4-(3-nitroanilino)-4-oxobutanoic acid (2-nitrophenyl)methyl ester IUPAC Name: (2-nitrophenyl)methyl 4-(3-nitroanilino)-4-oxobutanoate Traditional Name: 4-keto-4-(3-nitroanilino)butyric acid (2-nitrobenzyl) ester Formula: C17H15N3O7 MolecularWeight: 373.3169

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O7/c21-16(18-13-5-3-6-14(10-13)19(23)24)8-9-17(22)27-11-12-4-1-2-7-15(12)20(25)26/h1-7,10H,8-9,11H2,(H,18,21)