[2-[(4-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoate

Systemtic Name: [2-[(4-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoate Openeye Name: [2-(4-methyl-3-nitro-anilino)-2-oxo-ethyl] 2-(3-oxo-1,4-benzoxazin-4-yl)acetate CAS Name: 2-(3-oxo-1,4-benzoxazin-4-yl)acetic acid [2-(4-methyl-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitroanilino)-2-oxoethyl] 2-(3-oxo-1,4-benzoxazin-4-yl)acetate Traditional Name: 2-(3-keto-1,4-benzoxazin-4-yl)acetic acid [2-keto-2-(4-methyl-3-nitro-anilino)ethyl] ester Formula: C19H17N3O7 MolecularWeight: 399.35418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)CN2C(=O)COC3=CC=CC=C32)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)CN2C(=O)COC3=CC=CC=C32)[N+](=O)[O-]

InChI

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