2-[(2E)-2-[3-(1-diazanyl-1-oxidanylidene-propan-2-yl)-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]hydrazinyl]benzoic acid

Systemtic Name: 2-[(2E)-2-[3-(1-diazanyl-1-oxidanylidene-propan-2-yl)-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]hydrazinyl]benzoic acid Openeye Name: 2-[(2E)-2-[3-(2-hydrazino-1-methyl-2-oxo-ethyl)-4-oxo-cyclohexa-2,5-dien-1-ylidene]hydrazino]benzoic acid CAS Name: 2-[(2E)-2-[3-(1-hydrazinyl-1-oxopropan-2-yl)-4-oxo-1-cyclohexa-2,5-dienylidene]hydrazinyl]benzoic acid IUPAC Name: 2-[(2E)-2-[3-(1-hydrazinyl-1-oxopropan-2-yl)-4-oxocyclohexa-2,5-dien-1-ylidene]hydrazinyl]benzoic acid Traditional Name: 2-[(N'E)-N'-[3-(2-hydrazino-2-keto-1-methyl-ethyl)-4-keto-cyclohexa-2,5-dien-1-ylidene]hydrazino]benzoic acid Formula: C16H16N4O4 MolecularWeight: 328.32264

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=NNC2=CC=CC=C2C(=O)O)C=CC1=O)C(=O)NN

Isomeric SMILES

CC(C1=C/C(=N/NC2=CC=CC=C2C(=O)O)/C=CC1=O)C(=O)NN

InChI

InChI=1S/C16H16N4O4/c1-9(15(22)18-17)12-8-10(6-7-14(12)21)19-20-13-5-3-2-4-11(13)16(23)24/h2-9,20H,17H2,1H3,(H,18,22)(H,23,24)/b19-10+