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

Systemtic Name: [2-[(4-chlorophenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 4-(cyclopropylamino)-3-nitro-benzoate Openeye Name: [2-[(4-chlorophenyl)methyl-methyl-amino]-2-oxo-ethyl] 4-(cyclopropylamino)-3-nitro-benzoate CAS Name: 4-(cyclopropylamino)-3-nitrobenzoic acid [2-[(4-chlorophenyl)methyl-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-chlorophenyl)methyl-methylamino]-2-oxoethyl] 4-(cyclopropylamino)-3-nitrobenzoate Traditional Name: 4-(cyclopropylamino)-3-nitro-benzoic acid [2-[(4-chlorobenzyl)-methyl-amino]-2-keto-ethyl] ester Formula: C20H20ClN3O5 MolecularWeight: 417.8429

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)Cl)C(=O)COC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=CC=C(C=C1)Cl)C(=O)COC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-]

InChI

InChI=1S/C20H20ClN3O5/c1-23(11-13-2-5-15(21)6-3-13)19(25)12-29-20(26)14-4-9-17(22-16-7-8-16)18(10-14)24(27)28/h2-6,9-10,16,22H,7-8,11-12H2,1H3