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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)COC(=O)CC2C(=O)NC3=CC=CC=C3O2

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)COC(=O)C[C@H]2C(=O)NC3=CC=CC=C3O2

InChI

InChI=1S/C19H17N3O7/c1-11-12(6-4-7-14(11)22(26)27)20-17(23)10-28-18(24)9-16-19(25)21-13-5-2-3-8-15(13)29-16/h2-8,16H,9-10H2,1H3,(H,20,23)(H,21,25)/t16-/m0/s1