[2-[(2-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-azanyl-4-chloranyl-benzoate

Systemtic Name: [2-[(2-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-azanyl-4-chloranyl-benzoate Openeye Name: [2-(2-methyl-3-nitro-anilino)-2-oxo-ethyl] 3-amino-4-chloro-benzoate CAS Name: 3-amino-4-chlorobenzoic acid [2-(2-methyl-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-3-nitroanilino)-2-oxoethyl] 3-amino-4-chlorobenzoate Traditional Name: 3-amino-4-chloro-benzoic acid [2-keto-2-(2-methyl-3-nitro-anilino)ethyl] ester Formula: C16H14ClN3O5 MolecularWeight: 363.75246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)COC(=O)C2=CC(=C(C=C2)Cl)N

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)COC(=O)C2=CC(=C(C=C2)Cl)N

InChI

InChI=1S/C16H14ClN3O5/c1-9-13(3-2-4-14(9)20(23)24)19-15(21)8-25-16(22)10-5-6-11(17)12(18)7-10/h2-7H,8,18H2,1H3,(H,19,21)