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

Systemtic Name: ethyl 3-[[3-(5-methyl-1,2,3,4-tetrazol-1-yl)phenyl]carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[[3-(5-methyltetrazol-1-yl)phenyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[3-(5-methyl-1-tetrazolyl)anilino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[[3-(5-methyltetrazol-1-yl)phenyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[3-(5-methyltetrazol-1-yl)phenyl]carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C18H16N6O5 MolecularWeight: 396.35684

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC=CC(=C2)N3C(=NN=N3)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC=CC(=C2)N3C(=NN=N3)C)[N+](=O)[O-]

InChI

InChI=1S/C18H16N6O5/c1-3-29-18(26)13-7-12(8-16(9-13)24(27)28)17(25)19-14-5-4-6-15(10-14)23-11(2)20-21-22-23/h4-10H,3H2,1-2H3,(H,19,25)