N-(2-butyl-1,2,3,4-tetrazol-5-yl)-3-(3-nitrophenyl)prop-2-enamide

Systemtic Name: N-(2-butyl-1,2,3,4-tetrazol-5-yl)-3-(3-nitrophenyl)prop-2-enamide Openeye Name: N-(2-butyltetrazol-5-yl)-3-(3-nitrophenyl)prop-2-enamide CAS Name: N-(2-butyl-5-tetrazolyl)-3-(3-nitrophenyl)-2-propenamide IUPAC Name: N-(2-butyltetrazol-5-yl)-3-(3-nitrophenyl)prop-2-enamide Traditional Name: N-(2-butyltetrazol-5-yl)-3-(3-nitrophenyl)acrylamide Formula: C14H16N6O3 MolecularWeight: 316.31524

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1N=C(N=N1)NC(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCN1N=C(N=N1)NC(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H16N6O3/c1-2-3-9-19-17-14(16-18-19)15-13(21)8-7-11-5-4-6-12(10-11)20(22)23/h4-8,10H,2-3,9H2,1H3,(H,15,17,21)