N-[2-(5-bromanyl-2-methyl-1H-indol-3-yl)ethyl]-1-nitro-9,10-bis(oxidanylidene)anthracene-2-carboxamide

Systemtic Name: N-[2-(5-bromanyl-2-methyl-1H-indol-3-yl)ethyl]-1-nitro-9,10-bis(oxidanylidene)anthracene-2-carboxamide Openeye Name: N-[2-(5-bromo-2-methyl-1H-indol-3-yl)ethyl]-1-nitro-9,10-dioxo-anthracene-2-carboxamide CAS Name: N-[2-(5-bromo-2-methyl-1H-indol-3-yl)ethyl]-1-nitro-9,10-dioxo-2-anthracenecarboxamide IUPAC Name: N-[2-(5-bromo-2-methyl-1H-indol-3-yl)ethyl]-1-nitro-9,10-dioxoanthracene-2-carboxamide Traditional Name: N-[2-(5-bromo-2-methyl-1H-indol-3-yl)ethyl]-9,10-diketo-1-nitro-anthracene-2-carboxamide Formula: C26H18BrN3O5 MolecularWeight: 532.34222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1)C=CC(=C2)Br)CCNC(=O)C3=C(C4=C(C=C3)C(=O)C5=CC=CC=C5C4=O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C2=C(N1)C=CC(=C2)Br)CCNC(=O)C3=C(C4=C(C=C3)C(=O)C5=CC=CC=C5C4=O)[N+](=O)[O-]

InChI

InChI=1S/C26H18BrN3O5/c1-13-15(20-12-14(27)6-9-21(20)29-13)10-11-28-26(33)19-8-7-18-22(23(19)30(34)35)25(32)17-5-3-2-4-16(17)24(18)31/h2-9,12,29H,10-11H2,1H3,(H,28,33)