2-[3-(6-methyl-4-oxidanylidene-3,1-benzoxazin-2-yl)phenyl]-6-nitro-benzo[de]isoquinoline-1,3-dione

Systemtic Name: 2-[3-(6-methyl-4-oxidanylidene-3,1-benzoxazin-2-yl)phenyl]-6-nitro-benzo[de]isoquinoline-1,3-dione Openeye Name: 2-[3-(6-methyl-4-oxo-3,1-benzoxazin-2-yl)phenyl]-6-nitro-benzo[de]isoquinoline-1,3-dione CAS Name: 2-[3-(6-methyl-4-oxo-3,1-benzoxazin-2-yl)phenyl]-6-nitrobenzo[de]isoquinoline-1,3-dione IUPAC Name: 2-[3-(6-methyl-4-oxo-3,1-benzoxazin-2-yl)phenyl]-6-nitrobenzo[de]isoquinoline-1,3-dione Traditional Name: 2-[3-(4-keto-6-methyl-3,1-benzoxazin-2-yl)phenyl]-6-nitro-benzo[de]isoquinoline-1,3-quinone Formula: C27H15N3O6 MolecularWeight: 477.4245

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(OC2=O)C3=CC(=CC=C3)N4C(=O)C5=C6C(=C(C=C5)[N+](=O)[O-])C=CC=C6C4=O

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(OC2=O)C3=CC(=CC=C3)N4C(=O)C5=C6C(=C(C=C5)[N+](=O)[O-])C=CC=C6C4=O

InChI

InChI=1S/C27H15N3O6/c1-14-8-10-21-20(12-14)27(33)36-24(28-21)15-4-2-5-16(13-15)29-25(31)18-7-3-6-17-22(30(34)35)11-9-19(23(17)18)26(29)32/h2-13H,1H3