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

Systemtic Name: methyl 3-[[4-(4-methylpiperazin-1-yl)phenyl]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[4-(4-methylpiperazin-1-yl)phenyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[4-(4-methyl-1-piperazinyl)anilino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[4-(4-methylpiperazin-1-yl)phenyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[4-(4-methylpiperazino)phenyl]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C20H22N4O5 MolecularWeight: 398.41248

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CN1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C20H22N4O5/c1-22-7-9-23(10-8-22)17-5-3-16(4-6-17)21-19(25)14-11-15(20(26)29-2)13-18(12-14)24(27)28/h3-6,11-13H,7-10H2,1-2H3,(H,21,25)