[2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 3-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)propanoate

Systemtic Name: [2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 3-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)propanoate Openeye Name: [2-(3,4-dimethylanilino)-2-oxo-ethyl] 3-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)propanoate CAS Name: 3-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)propanoic acid [2-(3,4-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethylanilino)-2-oxoethyl] 3-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)propanoate Traditional Name: 3-(2-keto-6-nitro-1,3-benzoxazol-3-yl)propionic acid [2-(3,4-dimethylanilino)-2-keto-ethyl] ester Formula: C20H19N3O7 MolecularWeight: 413.38076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)CCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)CCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O)C

InChI

InChI=1S/C20H19N3O7/c1-12-3-4-14(9-13(12)2)21-18(24)11-29-19(25)7-8-22-16-6-5-15(23(27)28)10-17(16)30-20(22)26/h3-6,9-10H,7-8,11H2,1-2H3,(H,21,24)