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

Systemtic Name: N-[4-(2-diethylaminoethylcarbamoyl)phenyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Openeye Name: N-[4-(2-diethylaminoethylcarbamoyl)phenyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide CAS Name: N-[4-[(2-diethylaminoethylamino)-oxomethyl]phenyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide IUPAC Name: N-[4-(2-diethylaminoethylcarbamoyl)phenyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Traditional Name: N-[4-(2-diethylaminoethylcarbamoyl)phenyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Formula: C22H25N7O4 MolecularWeight: 451.4784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N7O4/c1-3-27(4-2)12-11-24-21(30)16-5-8-18(9-6-16)26-22(31)17-7-10-19(20(13-17)29(32)33)28-15-23-14-25-28/h5-10,13-15H,3-4,11-12H2,1-2H3,(H,24,30)(H,26,31)