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

Systemtic Name: 2-(5-methyl-1,3-benzoxazol-2-yl)-5-[(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]phenolate Openeye Name: 2-(5-methyl-1,3-benzoxazol-2-yl)-5-[(3-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]phenolate CAS Name: 2-(5-methyl-1,3-benzoxazol-2-yl)-5-[(3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]phenolate IUPAC Name: 2-(5-methyl-1,3-benzoxazol-2-yl)-5-[(3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]phenolate Traditional Name: 5-[(6-keto-3-nitro-cyclohexa-2,4-dien-1-ylidene)methylamino]-2-(5-methyl-1,3-benzoxazol-2-yl)phenolate Formula: C21H14N3O5- MolecularWeight: 388.35296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=N2)C3=C(C=C(C=C3)NC=C4C=C(C=CC4=O)[N+](=O)[O-])[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=N2)C3=C(C=C(C=C3)NC=C4C=C(C=CC4=O)[N+](=O)[O-])[O-]

InChI

InChI=1S/C21H15N3O5/c1-12-2-7-20-17(8-12)23-21(29-20)16-5-3-14(10-19(16)26)22-11-13-9-15(24(27)28)4-6-18(13)25/h2-11,22,26H,1H3/p-1