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

Systemtic Name: N-[[2-(diethylaminomethyl)phenyl]methyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Openeye Name: N-[[2-(diethylaminomethyl)phenyl]methyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide CAS Name: N-[[2-(diethylaminomethyl)phenyl]methyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide IUPAC Name: N-[[2-(diethylaminomethyl)phenyl]methyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Traditional Name: N-[2-(diethylaminomethyl)benzyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Formula: C21H24N6O3 MolecularWeight: 408.45366

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=CC=CC=C1CNC(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)CC1=CC=CC=C1CNC(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-]

InChI

InChI=1S/C21H24N6O3/c1-3-25(4-2)13-18-8-6-5-7-17(18)12-23-21(28)16-9-10-19(20(11-16)27(29)30)26-15-22-14-24-26/h5-11,14-15H,3-4,12-13H2,1-2H3,(H,23,28)