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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)OC(=N2)C3=C(C=CC(=C3)NC=C4C=CC=C(C4=O)[N+](=O)[O-])[O-]

Isomeric SMILES

CC1=C2C(=CC=C1)OC(=N2)C3=C(C=CC(=C3)NC=C4C=CC=C(C4=O)[N+](=O)[O-])[O-]

InChI

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