[2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 4-oxidanylidene-4-(quinolin-8-ylamino)butanoate

Systemtic Name: [2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 4-oxidanylidene-4-(quinolin-8-ylamino)butanoate Openeye Name: [2-(3-nitrophenyl)-2-oxo-ethyl] 4-oxo-4-(8-quinolylamino)butanoate CAS Name: 4-oxo-4-(8-quinolinylamino)butanoic acid [2-(3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-nitrophenyl)-2-oxoethyl] 4-oxo-4-(quinolin-8-ylamino)butanoate Traditional Name: 4-keto-4-(8-quinolylamino)butyric acid [2-keto-2-(3-nitrophenyl)ethyl] ester Formula: C21H17N3O6 MolecularWeight: 407.37618

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)NC(=O)CCC(=O)OCC(=O)C3=CC(=CC=C3)[N+](=O)[O-])N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)NC(=O)CCC(=O)OCC(=O)C3=CC(=CC=C3)[N+](=O)[O-])N=CC=C2

InChI

InChI=1S/C21H17N3O6/c25-18(15-5-1-7-16(12-15)24(28)29)13-30-20(27)10-9-19(26)23-17-8-2-4-14-6-3-11-22-21(14)17/h1-8,11-12H,9-10,13H2,(H,23,26)