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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NC3=C(O2)C=CC(=C3)NC=C4C=C(C=CC4=O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=NC3=C(O2)C=CC(=C3)NC=C4C=C(C=CC4=O)[N+](=O)[O-]

InChI

InChI=1S/C21H15N3O4/c25-19-8-7-17(24(26)27)11-15(19)13-22-16-6-9-20-18(12-16)23-21(28-20)10-14-4-2-1-3-5-14/h1-9,11-13,22H,10H2