6-[[[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]amino]methylidene]-4-nitro-cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[[[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]amino]methylidene]-4-nitro-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[[2-(m-tolyl)-1,3-benzoxazol-5-yl]amino]methylene]-4-nitro-cyclohexa-2,4-dien-1-one CAS Name: 6-[[[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]amino]methylidene]-4-nitro-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]amino]methylidene]-4-nitrocyclohexa-2,4-dien-1-one Traditional Name: 6-[[[2-(m-tolyl)-1,3-benzoxazol-5-yl]amino]methylene]-4-nitro-cyclohexa-2,4-dien-1-one Formula: C21H15N3O4 MolecularWeight: 373.3615

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC3=C(O2)C=CC(=C3)NC=C4C=C(C=CC4=O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC3=C(O2)C=CC(=C3)NC=C4C=C(C=CC4=O)[N+](=O)[O-]

InChI

InChI=1S/C21H15N3O4/c1-13-3-2-4-14(9-13)21-23-18-11-16(5-8-20(18)28-21)22-12-15-10-17(24(26)27)6-7-19(15)25/h2-12,22H,1H3