4-[4-[[(3-methoxy-5-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]carbamoyl]phenoxy]phenolate

Systemtic Name: 4-[4-[[(3-methoxy-5-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]carbamoyl]phenoxy]phenolate Openeye Name: 4-[4-[[(3-methoxy-5-nitro-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]carbamoyl]phenoxy]phenolate CAS Name: 4-[4-[[(3-methoxy-5-nitro-4-oxo-1-cyclohexa-2,5-dienylidene)methylhydrazo]-oxomethyl]phenoxy]phenolate IUPAC Name: 4-[4-[[(3-methoxy-5-nitro-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]carbamoyl]phenoxy]phenolate Traditional Name: 4-[4-[[(4-keto-3-methoxy-5-nitro-cyclohexa-2,5-dien-1-ylidene)methylamino]carbamoyl]phenoxy]phenolate Formula: C21H16N3O7- MolecularWeight: 422.36764

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CNNC(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)[O-])C=C(C1=O)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CNNC(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)[O-])C=C(C1=O)[N+](=O)[O-]

InChI

InChI=1S/C21H17N3O7/c1-30-19-11-13(10-18(20(19)26)24(28)29)12-22-23-21(27)14-2-6-16(7-3-14)31-17-8-4-15(25)5-9-17/h2-12,22,25H,1H3,(H,23,27)/p-1