methyl 3-[[4-methyl-3-(1,2,3,4-tetrazol-1-yl)phenyl]carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[[4-methyl-3-(1,2,3,4-tetrazol-1-yl)phenyl]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[4-methyl-3-(tetrazol-1-yl)phenyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[4-methyl-3-(1-tetrazolyl)anilino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[4-methyl-3-(tetrazol-1-yl)phenyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[4-methyl-3-(tetrazol-1-yl)phenyl]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C17H14N6O5 MolecularWeight: 382.33026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC)N3C=NN=N3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC)N3C=NN=N3

InChI

InChI=1S/C17H14N6O5/c1-10-3-4-13(8-15(10)22-9-18-20-21-22)19-16(24)11-5-12(17(25)28-2)7-14(6-11)23(26)27/h3-9H,1-2H3,(H,19,24)