4-[2-(3-ethoxy-2-ethoxycarbonyl-3-oxidanylidene-prop-1-enyl)hydrazinyl]-3-nitro-benzoic acid

Systemtic Name: 4-[2-(3-ethoxy-2-ethoxycarbonyl-3-oxidanylidene-prop-1-enyl)hydrazinyl]-3-nitro-benzoic acid Openeye Name: 4-[2-(3-ethoxy-2-ethoxycarbonyl-3-oxo-prop-1-enyl)hydrazino]-3-nitro-benzoic acid CAS Name: 4-[(3-ethoxy-2-ethoxycarbonyl-3-oxoprop-1-enyl)hydrazo]-3-nitrobenzoic acid IUPAC Name: 4-[2-(3-ethoxy-2-ethoxycarbonyl-3-oxoprop-1-enyl)hydrazinyl]-3-nitrobenzoic acid Traditional Name: 4-[N'-(2-carbethoxy-3-ethoxy-3-keto-prop-1-enyl)hydrazino]-3-nitro-benzoic acid Formula: C15H17N3O8 MolecularWeight: 367.31078

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNNC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCOC(=O)C(=CNNC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C15H17N3O8/c1-3-25-14(21)10(15(22)26-4-2)8-16-17-11-6-5-9(13(19)20)7-12(11)18(23)24/h5-8,16-17H,3-4H2,1-2H3,(H,19,20)