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

Systemtic Name: [1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(2-oxidanylidene-1,3-benzoxazol-3-yl)propanoate Openeye Name: [1-methyl-2-(4-nitroanilino)-2-oxo-ethyl] 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate CAS Name: 3-(2-oxo-1,3-benzoxazol-3-yl)propanoic acid [1-(4-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-nitroanilino)-1-oxopropan-2-yl] 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate Traditional Name: 3-(2-keto-1,3-benzoxazol-3-yl)propionic acid [2-keto-1-methyl-2-(4-nitroanilino)ethyl] ester Formula: C19H17N3O7 MolecularWeight: 399.35418

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])OC(=O)CCN2C3=CC=CC=C3OC2=O

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])OC(=O)CCN2C3=CC=CC=C3OC2=O

InChI

InChI=1S/C19H17N3O7/c1-12(18(24)20-13-6-8-14(9-7-13)22(26)27)28-17(23)10-11-21-15-4-2-3-5-16(15)29-19(21)25/h2-9,12H,10-11H2,1H3,(H,20,24)