[1-[(4-chlorophenyl)methylamino]-1-oxidanylidene-propan-2-yl] 4-azanyl-3-nitro-benzoate

Systemtic Name: [1-[(4-chlorophenyl)methylamino]-1-oxidanylidene-propan-2-yl] 4-azanyl-3-nitro-benzoate Openeye Name: [2-[(4-chlorophenyl)methylamino]-1-methyl-2-oxo-ethyl] 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid [1-[(4-chlorophenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(4-chlorophenyl)methylamino]-1-oxopropan-2-yl] 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid [2-[(4-chlorobenzyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C17H16ClN3O5 MolecularWeight: 377.77904

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)Cl)OC(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NCC1=CC=C(C=C1)Cl)OC(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-]

InChI

InChI=1S/C17H16ClN3O5/c1-10(16(22)20-9-11-2-5-13(18)6-3-11)26-17(23)12-4-7-14(19)15(8-12)21(24)25/h2-8,10H,9,19H2,1H3,(H,20,22)