methyl 3-[(2-methyl-3-nitro-phenyl)carbonylamino]-4-[4-(phenylmethyl)piperazin-1-yl]benzoate

Systemtic Name: methyl 3-[(2-methyl-3-nitro-phenyl)carbonylamino]-4-[4-(phenylmethyl)piperazin-1-yl]benzoate Openeye Name: methyl 4-(4-benzylpiperazin-1-yl)-3-[(2-methyl-3-nitro-benzoyl)amino]benzoate CAS Name: 3-[[(2-methyl-3-nitrophenyl)-oxomethyl]amino]-4-[4-(phenylmethyl)-1-piperazinyl]benzoic acid methyl ester IUPAC Name: methyl 4-(4-benzylpiperazin-1-yl)-3-[(2-methyl-3-nitrobenzoyl)amino]benzoate Traditional Name: 4-(4-benzylpiperazino)-3-[(2-methyl-3-nitro-benzoyl)amino]benzoic acid methyl ester Formula: C27H28N4O5 MolecularWeight: 488.53502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C27H28N4O5/c1-19-22(9-6-10-24(19)31(34)35)26(32)28-23-17-21(27(33)36-2)11-12-25(23)30-15-13-29(14-16-30)18-20-7-4-3-5-8-20/h3-12,17H,13-16,18H2,1-2H3,(H,28,32)