N-[3-(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)phenyl]-4-(methylamino)-3-nitro-benzamide

Systemtic Name: N-[3-(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)phenyl]-4-(methylamino)-3-nitro-benzamide Openeye Name: N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(methylamino)-3-nitro-benzamide CAS Name: N-[3-(1-cyclopropyl-5-tetrazolyl)phenyl]-4-(methylamino)-3-nitrobenzamide IUPAC Name: N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(methylamino)-3-nitrobenzamide Traditional Name: N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(methylamino)-3-nitro-benzamide Formula: C18H17N7O3 MolecularWeight: 379.37268

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C3=NN=NN3C4CC4)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C3=NN=NN3C4CC4)[N+](=O)[O-]

InChI

InChI=1S/C18H17N7O3/c1-19-15-8-5-12(10-16(15)25(27)28)18(26)20-13-4-2-3-11(9-13)17-21-22-23-24(17)14-6-7-14/h2-5,8-10,14,19H,6-7H2,1H3,(H,20,26)