[2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl] 4-(4-methylpiperazin-1-yl)-3-nitro-benzoate

Systemtic Name: [2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl] 4-(4-methylpiperazin-1-yl)-3-nitro-benzoate Openeye Name: [2-(2-bromoanilino)-2-oxo-ethyl] 4-(4-methylpiperazin-1-yl)-3-nitro-benzoate CAS Name: 4-(4-methyl-1-piperazinyl)-3-nitrobenzoic acid [2-(2-bromoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromoanilino)-2-oxoethyl] 4-(4-methylpiperazin-1-yl)-3-nitrobenzoate Traditional Name: 4-(4-methylpiperazino)-3-nitro-benzoic acid [2-(2-bromoanilino)-2-keto-ethyl] ester Formula: C20H21BrN4O5 MolecularWeight: 477.30854

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC(=O)NC3=CC=CC=C3Br)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC(=O)NC3=CC=CC=C3Br)[N+](=O)[O-]

InChI

InChI=1S/C20H21BrN4O5/c1-23-8-10-24(11-9-23)17-7-6-14(12-18(17)25(28)29)20(27)30-13-19(26)22-16-5-3-2-4-15(16)21/h2-7,12H,8-11,13H2,1H3,(H,22,26)