6-(3H-1,3-benzoxazol-2-ylidene)-4-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]cyclohexa-2,4-dien-1-one

Systemtic Name: 6-(3H-1,3-benzoxazol-2-ylidene)-4-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]cyclohexa-2,4-dien-1-one Openeye Name: 6-(3H-1,3-benzoxazol-2-ylidene)-4-[(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]cyclohexa-2,4-dien-1-one CAS Name: 6-(3H-1,3-benzoxazol-2-ylidene)-4-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-1-cyclohexa-2,4-dienone IUPAC Name: 6-(3H-1,3-benzoxazol-2-ylidene)-4-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]cyclohexa-2,4-dien-1-one Traditional Name: 6-(3H-1,3-benzoxazol-2-ylidene)-4-[(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]cyclohexa-2,4-dien-1-one Formula: C21H13N3O6 MolecularWeight: 403.34442

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C=NC3=CC(=C4NC5=CC=CC=C5O4)C(=O)C=C3)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)C=NC3=CC(=C4NC5=CC=CC=C5O4)C(=O)C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H13N3O6/c25-17-6-5-13(8-14(17)21-23-15-3-1-2-4-18(15)30-21)22-10-12-7-19-20(29-11-28-19)9-16(12)24(26)27/h1-10,23H,11H2