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

Systemtic Name: 2-(5,6-dimethyl-1,3-benzoxazol-2-yl)-4-[(5-ethoxy-3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]phenolate Openeye Name: 2-(5,6-dimethyl-1,3-benzoxazol-2-yl)-4-[(5-ethoxy-3-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]phenolate CAS Name: 2-(5,6-dimethyl-1,3-benzoxazol-2-yl)-4-[(5-ethoxy-3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]phenolate IUPAC Name: 2-(5,6-dimethyl-1,3-benzoxazol-2-yl)-4-[(5-ethoxy-3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]phenolate Traditional Name: 2-(5,6-dimethyl-1,3-benzoxazol-2-yl)-4-[(5-ethoxy-6-keto-3-nitro-cyclohexa-2,4-dien-1-ylidene)methylamino]phenolate Formula: C24H20N3O6- MolecularWeight: 446.4321

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=CNC2=CC(=C(C=C2)[O-])C3=NC4=C(O3)C=C(C(=C4)C)C)C1=O)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=CC(=CNC2=CC(=C(C=C2)[O-])C3=NC4=C(O3)C=C(C(=C4)C)C)C1=O)[N+](=O)[O-]

InChI

InChI=1S/C24H21N3O6/c1-4-32-22-11-17(27(30)31)9-15(23(22)29)12-25-16-5-6-20(28)18(10-16)24-26-19-7-13(2)14(3)8-21(19)33-24/h5-12,25,28H,4H2,1-3H3/p-1