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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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