(1-butyl-1,2,3,4-tetrazol-5-yl)methyl 3-nitro-4-[(phenylmethyl)amino]benzoate

Systemtic Name: (1-butyl-1,2,3,4-tetrazol-5-yl)methyl 3-nitro-4-[(phenylmethyl)amino]benzoate Openeye Name: (1-butyltetrazol-5-yl)methyl 4-(benzylamino)-3-nitro-benzoate CAS Name: 3-nitro-4-[(phenylmethyl)amino]benzoic acid (1-butyl-5-tetrazolyl)methyl ester IUPAC Name: (1-butyltetrazol-5-yl)methyl 4-(benzylamino)-3-nitrobenzoate Traditional Name: 4-(benzylamino)-3-nitro-benzoic acid (1-butyltetrazol-5-yl)methyl ester Formula: C20H22N6O4 MolecularWeight: 410.42648

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=N1)COC(=O)C2=CC(=C(C=C2)NCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCN1C(=NN=N1)COC(=O)C2=CC(=C(C=C2)NCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H22N6O4/c1-2-3-11-25-19(22-23-24-25)14-30-20(27)16-9-10-17(18(12-16)26(28)29)21-13-15-7-5-4-6-8-15/h4-10,12,21H,2-3,11,13-14H2,1H3