[1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(2-oxidanylidene-1,3-benzoxazol-3-yl)butanoate

Systemtic Name: [1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(2-oxidanylidene-1,3-benzoxazol-3-yl)butanoate Openeye Name: [1-methyl-2-(3-nitroanilino)-2-oxo-ethyl] 4-(2-oxo-1,3-benzoxazol-3-yl)butanoate CAS Name: 4-(2-oxo-1,3-benzoxazol-3-yl)butanoic acid [1-(3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-nitroanilino)-1-oxopropan-2-yl] 4-(2-oxo-1,3-benzoxazol-3-yl)butanoate Traditional Name: 4-(2-keto-1,3-benzoxazol-3-yl)butyric acid [2-keto-1-methyl-2-(3-nitroanilino)ethyl] ester Formula: C20H19N3O7 MolecularWeight: 413.38076

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)CCCN2C3=CC=CC=C3OC2=O

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)CCCN2C3=CC=CC=C3OC2=O

InChI

InChI=1S/C20H19N3O7/c1-13(19(25)21-14-6-4-7-15(12-14)23(27)28)29-18(24)10-5-11-22-16-8-2-3-9-17(16)30-20(22)26/h2-4,6-9,12-13H,5,10-11H2,1H3,(H,21,25)