2-(5-ethyl-1,3-benzoxazol-2-yl)-4-[(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]phenolate

Systemtic Name: 2-(5-ethyl-1,3-benzoxazol-2-yl)-4-[(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]phenolate Openeye Name: 2-(5-ethyl-1,3-benzoxazol-2-yl)-4-[(3-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]phenolate CAS Name: 2-(5-ethyl-1,3-benzoxazol-2-yl)-4-[(3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]phenolate IUPAC Name: 2-(5-ethyl-1,3-benzoxazol-2-yl)-4-[(3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]phenolate Traditional Name: 2-(5-ethyl-1,3-benzoxazol-2-yl)-4-[(6-keto-3-nitro-cyclohexa-2,4-dien-1-ylidene)methylamino]phenolate Formula: C22H16N3O5- MolecularWeight: 402.37954

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)OC(=N2)C3=C(C=CC(=C3)NC=C4C=C(C=CC4=O)[N+](=O)[O-])[O-]

Isomeric SMILES

CCC1=CC2=C(C=C1)OC(=N2)C3=C(C=CC(=C3)NC=C4C=C(C=CC4=O)[N+](=O)[O-])[O-]

InChI

InChI=1S/C22H17N3O5/c1-2-13-3-8-21-18(9-13)24-22(30-21)17-11-15(4-6-20(17)27)23-12-14-10-16(25(28)29)5-7-19(14)26/h3-12,23,27H,2H2,1H3/p-1