2-[(6E)-6-[(4-nitrophenyl)methoxycarbonylhydrazinylidene]cyclohexa-1,3-dien-1-yl]ethanoic acid

Systemtic Name: 2-[(6E)-6-[(4-nitrophenyl)methoxycarbonylhydrazinylidene]cyclohexa-1,3-dien-1-yl]ethanoic acid Openeye Name: 2-[(6E)-6-[(4-nitrophenyl)methoxycarbonylhydrazono]cyclohexa-1,3-dien-1-yl]acetic acid CAS Name: 2-[(6E)-6-[[(4-nitrophenyl)methoxy-oxomethyl]hydrazinylidene]-1-cyclohexa-1,3-dienyl]acetic acid IUPAC Name: 2-[(6E)-6-[(4-nitrophenyl)methoxycarbonylhydrazinylidene]cyclohexa-1,3-dien-1-yl]acetic acid Traditional Name: 2-[(6E)-6-[(4-nitrobenzyl)oxycarbonylhydrazono]cyclohexa-1,3-dien-1-yl]acetic acid Formula: C16H15N3O6 MolecularWeight: 345.3068

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC=C(C1=NNC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])CC(=O)O

Isomeric SMILES

C\1C=CC=C(/C1=N/NC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])CC(=O)O

InChI

InChI=1S/C16H15N3O6/c20-15(21)9-12-3-1-2-4-14(12)17-18-16(22)25-10-11-5-7-13(8-6-11)19(23)24/h1-3,5-8H,4,9-10H2,(H,18,22)(H,20,21)/b17-14+