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

Systemtic Name: ethyl 3-[[5-chloranyl-2-(1,2,4-triazol-1-yl)phenyl]carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[5-chloro-2-(1,2,4-triazol-1-yl)anilino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C18H14ClN5O5 MolecularWeight: 415.78726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14ClN5O5/c1-2-29-18(26)12-5-11(6-14(7-12)24(27)28)17(25)22-15-8-13(19)3-4-16(15)23-10-20-9-21-23/h3-10H,2H2,1H3,(H,22,25)