3-[4-(diethylamino)-2-methoxy-phenyl]-5-(methylamino)-3-(1-methyl-6-nitro-indol-3-yl)-2-benzofuran-1-one

Systemtic Name: 3-[4-(diethylamino)-2-methoxy-phenyl]-5-(methylamino)-3-(1-methyl-6-nitro-indol-3-yl)-2-benzofuran-1-one Openeye Name: 3-[4-(diethylamino)-2-methoxy-phenyl]-5-(methylamino)-3-(1-methyl-6-nitro-indol-3-yl)isobenzofuran-1-one CAS Name: 3-[4-(diethylamino)-2-methoxyphenyl]-5-(methylamino)-3-(1-methyl-6-nitro-3-indolyl)-1-isobenzofuranone IUPAC Name: 3-[4-(diethylamino)-2-methoxyphenyl]-5-(methylamino)-3-(1-methyl-6-nitroindol-3-yl)-2-benzofuran-1-one Traditional Name: 3-[4-(diethylamino)-2-methoxy-phenyl]-5-(methylamino)-3-(1-methyl-6-nitro-indol-3-yl)phthalide Formula: C29H30N4O5 MolecularWeight: 514.5723

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=C(C=C1)C2(C3=C(C=CC(=C3)NC)C(=O)O2)C4=CN(C5=C4C=CC(=C5)[N+](=O)[O-])C)OC

Isomeric SMILES

CCN(CC)C1=CC(=C(C=C1)C2(C3=C(C=CC(=C3)NC)C(=O)O2)C4=CN(C5=C4C=CC(=C5)[N+](=O)[O-])C)OC

InChI

InChI=1S/C29H30N4O5/c1-6-32(7-2)19-10-13-23(27(16-19)37-5)29(24-14-18(30-3)8-11-22(24)28(34)38-29)25-17-31(4)26-15-20(33(35)36)9-12-21(25)26/h8-17,30H,6-7H2,1-5H3