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

Systemtic Name: methyl 3-[(4-methyl-3-nitro-phenyl)carbonylamino]-4-(4-methylpiperazin-1-yl)benzoate Openeye Name: methyl 3-[(4-methyl-3-nitro-benzoyl)amino]-4-(4-methylpiperazin-1-yl)benzoate CAS Name: 3-[[(4-methyl-3-nitrophenyl)-oxomethyl]amino]-4-(4-methyl-1-piperazinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[(4-methyl-3-nitrobenzoyl)amino]-4-(4-methylpiperazin-1-yl)benzoate Traditional Name: 3-[(4-methyl-3-nitro-benzoyl)amino]-4-(4-methylpiperazino)benzoic acid methyl ester Formula: C21H24N4O5 MolecularWeight: 412.43906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O5/c1-14-4-5-15(13-19(14)25(28)29)20(26)22-17-12-16(21(27)30-3)6-7-18(17)24-10-8-23(2)9-11-24/h4-7,12-13H,8-11H2,1-3H3,(H,22,26)