N-[(E)-1-(5-nitro-1,2,3,4-tetrazol-2-yl)propan-2-ylideneamino]-2-phenyl-ethanamide

Systemtic Name: N-[(E)-1-(5-nitro-1,2,3,4-tetrazol-2-yl)propan-2-ylideneamino]-2-phenyl-ethanamide Openeye Name: N-[(E)-[1-methyl-2-(5-nitrotetrazol-2-yl)ethylidene]amino]-2-phenyl-acetamide CAS Name: N-[(E)-1-(5-nitro-2-tetrazolyl)propan-2-ylideneamino]-2-phenylacetamide IUPAC Name: N-[(E)-1-(5-nitrotetrazol-2-yl)propan-2-ylideneamino]-2-phenylacetamide Traditional Name: N-[(E)-[1-methyl-2-(5-nitrotetrazol-2-yl)ethylidene]amino]-2-phenyl-acetamide Formula: C12H13N7O3 MolecularWeight: 303.27672

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)CC1=CC=CC=C1)CN2N=C(N=N2)[N+](=O)[O-]

Isomeric SMILES

C/C(=N\NC(=O)CC1=CC=CC=C1)/CN2N=C(N=N2)[N+](=O)[O-]

InChI

InChI=1S/C12H13N7O3/c1-9(8-18-16-12(15-17-18)19(21)22)13-14-11(20)7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,14,20)/b13-9+