6-[[[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]amino]methylidene]-2,4-dinitro-3-oxidanylidene-cyclohexa-1,4-dien-1-olate

Systemtic Name: 6-[[[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]amino]methylidene]-2,4-dinitro-3-oxidanylidene-cyclohexa-1,4-dien-1-olate Openeye Name: 2,4-dinitro-6-[[[2-(o-tolyl)-1,3-benzoxazol-5-yl]amino]methylene]-3-oxo-cyclohexa-1,4-dien-1-olate CAS Name: 6-[[[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]amino]methylidene]-2,4-dinitro-3-oxo-1-cyclohexa-1,4-dienolate IUPAC Name: 6-[[[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]amino]methylidene]-2,4-dinitro-3-oxocyclohexa-1,4-dien-1-olate Traditional Name: 3-keto-2,4-dinitro-6-[[[2-(o-tolyl)-1,3-benzoxazol-5-yl]amino]methylene]cyclohexa-1,4-dien-1-olate Formula: C21H13N4O7- MolecularWeight: 433.35052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NC3=C(O2)C=CC(=C3)NC=C4C=C(C(=O)C(=C4[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C2=NC3=C(O2)C=CC(=C3)NC=C4C=C(C(=O)C(=C4[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H14N4O7/c1-11-4-2-3-5-14(11)21-23-15-9-13(6-7-17(15)32-21)22-10-12-8-16(24(28)29)20(27)18(19(12)26)25(30)31/h2-10,22,26H,1H3/p-1