ethyl 3-[[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]carbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[2-methyl-4-(4-methyl-1-piperazinyl)anilino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[2-methyl-4-(4-methylpiperazino)phenyl]carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C22H26N4O5 MolecularWeight: 426.46564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O5/c1-4-31-22(28)17-12-16(13-19(14-17)26(29)30)21(27)23-20-6-5-18(11-15(20)2)25-9-7-24(3)8-10-25/h5-6,11-14H,4,7-10H2,1-3H3,(H,23,27)