N-[3-(4-dimethylaminophenyl)propyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide

Systemtic Name: N-[3-(4-dimethylaminophenyl)propyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Openeye Name: N-[3-(4-dimethylaminophenyl)propyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide CAS Name: N-[3-(4-dimethylaminophenyl)propyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide IUPAC Name: N-[3-(4-dimethylaminophenyl)propyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Traditional Name: N-[3-(4-dimethylaminophenyl)propyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Formula: C20H22N6O3 MolecularWeight: 394.42708

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CCCNC(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CCCNC(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-]

InChI

InChI=1S/C20H22N6O3/c1-24(2)17-8-5-15(6-9-17)4-3-11-22-20(27)16-7-10-18(19(12-16)26(28)29)25-14-21-13-23-25/h5-10,12-14H,3-4,11H2,1-2H3,(H,22,27)