6-[(3-chloranyl-4-methoxy-phenyl)amino]-5-nitro-2-phenethyl-benzo[de]isoquinoline-1,3-dione

Systemtic Name: 6-[(3-chloranyl-4-methoxy-phenyl)amino]-5-nitro-2-phenethyl-benzo[de]isoquinoline-1,3-dione Openeye Name: 6-(3-chloro-4-methoxy-anilino)-5-nitro-2-phenethyl-benzo[de]isoquinoline-1,3-dione CAS Name: 6-(3-chloro-4-methoxyanilino)-5-nitro-2-phenethylbenzo[de]isoquinoline-1,3-dione IUPAC Name: 6-(3-chloro-4-methoxyanilino)-5-nitro-2-phenethylbenzo[de]isoquinoline-1,3-dione Traditional Name: 6-(3-chloro-4-methoxy-anilino)-5-nitro-2-phenethyl-benzo[de]isoquinoline-1,3-quinone Formula: C27H20ClN3O5 MolecularWeight: 501.9178

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC2=C(C=C3C4=C2C=CC=C4C(=O)N(C3=O)CCC5=CC=CC=C5)[N+](=O)[O-])Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC2=C(C=C3C4=C2C=CC=C4C(=O)N(C3=O)CCC5=CC=CC=C5)[N+](=O)[O-])Cl

InChI

InChI=1S/C27H20ClN3O5/c1-36-23-11-10-17(14-21(23)28)29-25-18-8-5-9-19-24(18)20(15-22(25)31(34)35)27(33)30(26(19)32)13-12-16-6-3-2-4-7-16/h2-11,14-15,29H,12-13H2,1H3