[2-ethoxy-4-[(E)-(ethoxycarbonylhydrazinylidene)methyl]phenyl] 3-nitrobenzoate

Systemtic Name: [2-ethoxy-4-[(E)-(ethoxycarbonylhydrazinylidene)methyl]phenyl] 3-nitrobenzoate Openeye Name: [2-ethoxy-4-[(E)-(ethoxycarbonylhydrazono)methyl]phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-ethoxy-4-[(E)-(ethoxycarbonylhydrazinylidene)methyl]phenyl] ester IUPAC Name: [2-ethoxy-4-[(E)-(ethoxycarbonylhydrazinylidene)methyl]phenyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [4-[(E)-(carbethoxyhydrazono)methyl]-2-ethoxy-phenyl] ester Formula: C19H19N3O7 MolecularWeight: 401.37006

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=NNC(=O)OCC)OC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=N/NC(=O)OCC)OC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O7/c1-3-27-17-10-13(12-20-21-19(24)28-4-2)8-9-16(17)29-18(23)14-6-5-7-15(11-14)22(25)26/h5-12H,3-4H2,1-2H3,(H,21,24)/b20-12+