5-methoxy-1,2-dimethyl-3-[(4-nitrophenoxy)-thiophen-2-yl-methyl]indole-4,7-dione

Systemtic Name: 5-methoxy-1,2-dimethyl-3-[(4-nitrophenoxy)-thiophen-2-yl-methyl]indole-4,7-dione Openeye Name: 5-methoxy-1,2-dimethyl-3-[(4-nitrophenoxy)-(2-thienyl)methyl]indole-4,7-dione CAS Name: 5-methoxy-1,2-dimethyl-3-[(4-nitrophenoxy)-thiophen-2-ylmethyl]indole-4,7-dione IUPAC Name: 5-methoxy-1,2-dimethyl-3-[(4-nitrophenoxy)-thiophen-2-ylmethyl]indole-4,7-dione Traditional Name: 5-methoxy-1,2-dimethyl-3-[(4-nitrophenoxy)-(2-thienyl)methyl]indole-4,7-quinone Formula: C22H18N2O6S MolecularWeight: 438.45312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1C)C(=O)C=C(C2=O)OC)C(C3=CC=CS3)OC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C2=C(N1C)C(=O)C=C(C2=O)OC)C(C3=CC=CS3)OC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H18N2O6S/c1-12-18(19-20(23(12)2)15(25)11-16(29-3)21(19)26)22(17-5-4-10-31-17)30-14-8-6-13(7-9-14)24(27)28/h4-11,22H,1-3H3