[2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl] 3-(2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)propanoate

Systemtic Name: [2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl] 3-(2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)propanoate Openeye Name: [2-(2-nitroanilino)-2-oxo-ethyl] 3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoate CAS Name: 3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoic acid [2-(2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-nitroanilino)-2-oxoethyl] 3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoate Traditional Name: 3-(3-keto-2-methyl-1,4-benzoxazin-4-yl)propionic acid [2-keto-2-(2-nitroanilino)ethyl] ester Formula: C20H19N3O7 MolecularWeight: 413.38076

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=CC=CC=C2O1)CCC(=O)OCC(=O)NC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1C(=O)N(C2=CC=CC=C2O1)CCC(=O)OCC(=O)NC3=CC=CC=C3[N+](=O)[O-]

InChI

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