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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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