(1-propyl-1,2,3,4-tetrazol-5-yl)methyl 4-(4-chloranyl-2-nitro-phenoxy)-3-methoxy-benzoate

Systemtic Name: (1-propyl-1,2,3,4-tetrazol-5-yl)methyl 4-(4-chloranyl-2-nitro-phenoxy)-3-methoxy-benzoate Openeye Name: (1-propyltetrazol-5-yl)methyl 4-(4-chloro-2-nitro-phenoxy)-3-methoxy-benzoate CAS Name: 4-(4-chloro-2-nitrophenoxy)-3-methoxybenzoic acid (1-propyl-5-tetrazolyl)methyl ester IUPAC Name: (1-propyltetrazol-5-yl)methyl 4-(4-chloro-2-nitrophenoxy)-3-methoxybenzoate Traditional Name: 4-(4-chloro-2-nitro-phenoxy)-3-methoxy-benzoic acid (1-propyltetrazol-5-yl)methyl ester Formula: C19H18ClN5O6 MolecularWeight: 447.82912

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=N1)COC(=O)C2=CC(=C(C=C2)OC3=C(C=C(C=C3)Cl)[N+](=O)[O-])OC

Isomeric SMILES

CCCN1C(=NN=N1)COC(=O)C2=CC(=C(C=C2)OC3=C(C=C(C=C3)Cl)[N+](=O)[O-])OC

InChI

InChI=1S/C19H18ClN5O6/c1-3-8-24-18(21-22-23-24)11-30-19(26)12-4-6-16(17(9-12)29-2)31-15-7-5-13(20)10-14(15)25(27)28/h4-7,9-10H,3,8,11H2,1-2H3