[1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-azanyl-3,5-bis(chloranyl)benzoate

Systemtic Name: [1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-azanyl-3,5-bis(chloranyl)benzoate Openeye Name: [1-methyl-2-(3-nitroanilino)-2-oxo-ethyl] 2-amino-3,5-dichloro-benzoate CAS Name: 2-amino-3,5-dichlorobenzoic acid [1-(3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-nitroanilino)-1-oxopropan-2-yl] 2-amino-3,5-dichlorobenzoate Traditional Name: 2-amino-3,5-dichloro-benzoic acid [2-keto-1-methyl-2-(3-nitroanilino)ethyl] ester Formula: C16H13Cl2N3O5 MolecularWeight: 398.19752

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2=CC(=CC(=C2N)Cl)Cl

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2=CC(=CC(=C2N)Cl)Cl

InChI

InChI=1S/C16H13Cl2N3O5/c1-8(15(22)20-10-3-2-4-11(7-10)21(24)25)26-16(23)12-5-9(17)6-13(18)14(12)19/h2-8H,19H2,1H3,(H,20,22)