N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide

Systemtic Name: N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Openeye Name: N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide CAS Name: N-[4-methoxy-3-(4-methyl-1-piperazinyl)phenyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide IUPAC Name: N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Traditional Name: N-[4-methoxy-3-(4-methylpiperazino)phenyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Formula: C21H23N7O4 MolecularWeight: 437.45182

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=CC(=C2)NC(=O)C3=CC(=C(C=C3)N4C=NC=N4)[N+](=O)[O-])OC

Isomeric SMILES

CN1CCN(CC1)C2=C(C=CC(=C2)NC(=O)C3=CC(=C(C=C3)N4C=NC=N4)[N+](=O)[O-])OC

InChI

InChI=1S/C21H23N7O4/c1-25-7-9-26(10-8-25)19-12-16(4-6-20(19)32-2)24-21(29)15-3-5-17(18(11-15)28(30)31)27-14-22-13-23-27/h3-6,11-14H,7-10H2,1-2H3,(H,24,29)