(1-butyl-1,2,3,4-tetrazol-5-yl)methyl 4-(methylamino)-3-nitro-benzoate

Systemtic Name: (1-butyl-1,2,3,4-tetrazol-5-yl)methyl 4-(methylamino)-3-nitro-benzoate Openeye Name: (1-butyltetrazol-5-yl)methyl 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid (1-butyl-5-tetrazolyl)methyl ester IUPAC Name: (1-butyltetrazol-5-yl)methyl 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid (1-butyltetrazol-5-yl)methyl ester Formula: C14H18N6O4 MolecularWeight: 334.33052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N6O4/c1-3-4-7-19-13(16-17-18-19)9-24-14(21)10-5-6-11(15-2)12(8-10)20(22)23/h5-6,8,15H,3-4,7,9H2,1-2H3