[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] 4-(furan-2-ylmethylamino)-4-oxidanylidene-butanoate

Systemtic Name: [2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] 4-(furan-2-ylmethylamino)-4-oxidanylidene-butanoate Openeye Name: [2-(3-nitroanilino)-2-oxo-ethyl] 4-(2-furylmethylamino)-4-oxo-butanoate CAS Name: 4-(2-furanylmethylamino)-4-oxobutanoic acid [2-(3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-nitroanilino)-2-oxoethyl] 4-(furan-2-ylmethylamino)-4-oxobutanoate Traditional Name: 4-(2-furfurylamino)-4-keto-butyric acid [2-keto-2-(3-nitroanilino)ethyl] ester Formula: C17H17N3O7 MolecularWeight: 375.33278

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)COC(=O)CCC(=O)NCC2=CC=CO2

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)COC(=O)CCC(=O)NCC2=CC=CO2

InChI

InChI=1S/C17H17N3O7/c21-15(18-10-14-5-2-8-26-14)6-7-17(23)27-11-16(22)19-12-3-1-4-13(9-12)20(24)25/h1-5,8-9H,6-7,10-11H2,(H,18,21)(H,19,22)