methyl 3-[[4-[[4-(3-methylphenyl)piperazin-1-yl]methyl]phenyl]carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[[4-[[4-(3-methylphenyl)piperazin-1-yl]methyl]phenyl]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[4-[[4-(m-tolyl)piperazin-1-yl]methyl]phenyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[4-[[4-(3-methylphenyl)-1-piperazinyl]methyl]anilino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[4-[[4-(3-methylphenyl)piperazin-1-yl]methyl]phenyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[4-[[4-(m-tolyl)piperazino]methyl]phenyl]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C27H28N4O5 MolecularWeight: 488.53502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)CC3=CC=C(C=C3)NC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)CC3=CC=C(C=C3)NC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])C(=O)OC

InChI

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