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

Systemtic Name: N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-nitro-4-pyrrolidino-benzamide Formula: C21H22N6O3 MolecularWeight: 406.43778

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NN=C1C2=CC(=CC=C2)NC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

CCN1C=NN=C1C2=CC(=CC=C2)NC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C21H22N6O3/c1-2-25-14-22-24-20(25)15-6-5-7-17(12-15)23-21(28)16-8-9-18(19(13-16)27(29)30)26-10-3-4-11-26/h5-9,12-14H,2-4,10-11H2,1H3,(H,23,28)