[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 2-azanyl-5-nitro-benzoate

Systemtic Name: [2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 2-azanyl-5-nitro-benzoate Openeye Name: [2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxo-ethyl] 2-amino-5-nitro-benzoate CAS Name: 2-amino-5-nitrobenzoic acid [2-[4-(2,3-dimethylphenyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl] 2-amino-5-nitrobenzoate Traditional Name: 2-amino-5-nitro-benzoic acid [2-[4-(2,3-dimethylphenyl)piperazino]-2-keto-ethyl] ester Formula: C21H24N4O5 MolecularWeight: 412.43906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N)C

InChI

InChI=1S/C21H24N4O5/c1-14-4-3-5-19(15(14)2)23-8-10-24(11-9-23)20(26)13-30-21(27)17-12-16(25(28)29)6-7-18(17)22/h3-7,12H,8-11,13,22H2,1-2H3