(1-propyl-1,2,3,4-tetrazol-5-yl)methyl 3-nitro-4-phenylazanyl-benzoate

Systemtic Name: (1-propyl-1,2,3,4-tetrazol-5-yl)methyl 3-nitro-4-phenylazanyl-benzoate Openeye Name: (1-propyltetrazol-5-yl)methyl 4-anilino-3-nitro-benzoate CAS Name: 4-anilino-3-nitrobenzoic acid (1-propyl-5-tetrazolyl)methyl ester IUPAC Name: (1-propyltetrazol-5-yl)methyl 4-anilino-3-nitrobenzoate Traditional Name: 4-anilino-3-nitro-benzoic acid (1-propyltetrazol-5-yl)methyl ester Formula: C18H18N6O4 MolecularWeight: 382.37332

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=N1)COC(=O)C2=CC(=C(C=C2)NC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCN1C(=NN=N1)COC(=O)C2=CC(=C(C=C2)NC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H18N6O4/c1-2-10-23-17(20-21-22-23)12-28-18(25)13-8-9-15(16(11-13)24(26)27)19-14-6-4-3-5-7-14/h3-9,11,19H,2,10,12H2,1H3