4-[(2E)-2-[1-ethoxy-1,3-bis(oxidanylidene)butan-2-ylidene]hydrazinyl]-3-nitro-benzoic acid

Systemtic Name: 4-[(2E)-2-[1-ethoxy-1,3-bis(oxidanylidene)butan-2-ylidene]hydrazinyl]-3-nitro-benzoic acid Openeye Name: 4-[(2E)-2-(1-ethoxycarbonyl-2-oxo-propylidene)hydrazino]-3-nitro-benzoic acid CAS Name: 4-[(2E)-2-(1-ethoxy-1,3-dioxobutan-2-ylidene)hydrazinyl]-3-nitrobenzoic acid IUPAC Name: 4-[(2E)-2-(1-ethoxy-1,3-dioxobutan-2-ylidene)hydrazinyl]-3-nitrobenzoic acid Traditional Name: 4-[(N'E)-N'-(1-carbethoxy-2-keto-propylidene)hydrazino]-3-nitro-benzoic acid Formula: C13H13N3O7 MolecularWeight: 323.25822

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=NNC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-])C(=O)C

Isomeric SMILES

CCOC(=O)/C(=N/NC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-])/C(=O)C

InChI

InChI=1S/C13H13N3O7/c1-3-23-13(20)11(7(2)17)15-14-9-5-4-8(12(18)19)6-10(9)16(21)22/h4-6,14H,3H2,1-2H3,(H,18,19)/b15-11+