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

Systemtic Name: [2-[(3,4-dichlorophenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 4-azanyl-3-nitro-benzoate Openeye Name: [2-[(3,4-dichlorophenyl)methyl-methyl-amino]-2-oxo-ethyl] 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid [2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl] 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid [2-[(3,4-dichlorobenzyl)-methyl-amino]-2-keto-ethyl] ester Formula: C17H15Cl2N3O5 MolecularWeight: 412.2241

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15Cl2N3O5/c1-21(8-10-2-4-12(18)13(19)6-10)16(23)9-27-17(24)11-3-5-14(20)15(7-11)22(25)26/h2-7H,8-9,20H2,1H3