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

Systemtic Name: 2-(5-ethyl-1,3-benzoxazol-2-yl)-4-[(5-methoxy-3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]phenolate Openeye Name: 2-(5-ethyl-1,3-benzoxazol-2-yl)-4-[(5-methoxy-3-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]phenolate CAS Name: 2-(5-ethyl-1,3-benzoxazol-2-yl)-4-[(5-methoxy-3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]phenolate IUPAC Name: 2-(5-ethyl-1,3-benzoxazol-2-yl)-4-[(5-methoxy-3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]phenolate Traditional Name: 2-(5-ethyl-1,3-benzoxazol-2-yl)-4-[(6-keto-5-methoxy-3-nitro-cyclohexa-2,4-dien-1-ylidene)methylamino]phenolate Formula: C23H18N3O6- MolecularWeight: 432.40552

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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=C(C4=O)OC)[N+](=O)[O-])[O-]

Isomeric SMILES

CCC1=CC2=C(C=C1)OC(=N2)C3=C(C=CC(=C3)NC=C4C=C(C=C(C4=O)OC)[N+](=O)[O-])[O-]

InChI

InChI=1S/C23H19N3O6/c1-3-13-4-7-20-18(8-13)25-23(32-20)17-10-15(5-6-19(17)27)24-12-14-9-16(26(29)30)11-21(31-2)22(14)28/h4-12,24,27H,3H2,1-2H3/p-1