(1-phenyl-1,2,3,4-tetrazol-5-yl)methyl 4-(cyclopropylamino)-3-nitro-benzoate

Systemtic Name: (1-phenyl-1,2,3,4-tetrazol-5-yl)methyl 4-(cyclopropylamino)-3-nitro-benzoate Openeye Name: (1-phenyltetrazol-5-yl)methyl 4-(cyclopropylamino)-3-nitro-benzoate CAS Name: 4-(cyclopropylamino)-3-nitrobenzoic acid (1-phenyl-5-tetrazolyl)methyl ester IUPAC Name: (1-phenyltetrazol-5-yl)methyl 4-(cyclopropylamino)-3-nitrobenzoate Traditional Name: 4-(cyclopropylamino)-3-nitro-benzoic acid (1-phenyltetrazol-5-yl)methyl ester Formula: C18H16N6O4 MolecularWeight: 380.35744

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=C(C=C(C=C2)C(=O)OCC3=NN=NN3C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CC1NC2=C(C=C(C=C2)C(=O)OCC3=NN=NN3C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H16N6O4/c25-18(12-6-9-15(19-13-7-8-13)16(10-12)24(26)27)28-11-17-20-21-22-23(17)14-4-2-1-3-5-14/h1-6,9-10,13,19H,7-8,11H2