[2-ethoxy-4-[(E)-1,2,4-triazol-4-yliminomethyl]phenyl] 3-nitrobenzoate

Systemtic Name: [2-ethoxy-4-[(E)-1,2,4-triazol-4-yliminomethyl]phenyl] 3-nitrobenzoate Openeye Name: [2-ethoxy-4-[(E)-1,2,4-triazol-4-yliminomethyl]phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-ethoxy-4-[(E)-1,2,4-triazol-4-yliminomethyl]phenyl] ester IUPAC Name: [2-ethoxy-4-[(E)-1,2,4-triazol-4-yliminomethyl]phenyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-ethoxy-4-[(E)-1,2,4-triazol-4-yliminomethyl]phenyl] ester Formula: C18H15N5O5 MolecularWeight: 381.3422

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=NN2C=NN=C2)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=N/N2C=NN=C2)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H15N5O5/c1-2-27-17-8-13(10-21-22-11-19-20-12-22)6-7-16(17)28-18(24)14-4-3-5-15(9-14)23(25)26/h3-12H,2H2,1H3/b21-10+