3-[(4-methoxyphenyl)amino]-5-nitro-indol-1-ium-2-one

Systemtic Name: 3-[(4-methoxyphenyl)amino]-5-nitro-indol-1-ium-2-one Openeye Name: 3-(4-methoxyanilino)-5-nitro-indol-1-ium-2-one CAS Name: 3-(4-methoxyanilino)-5-nitro-2-indol-1-iumone IUPAC Name: 3-(4-methoxyanilino)-5-nitroindol-1-ium-2-one Traditional Name: 5-nitro-3-(p-anisidino)indol-1-ium-2-one Formula: C15H12N3O4+ MolecularWeight: 298.27348

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=C3C=C(C=CC3=[NH+]C2=O)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)NC2=C3C=C(C=CC3=[NH+]C2=O)[N+](=O)[O-]

InChI

InChI=1S/C15H11N3O4/c1-22-11-5-2-9(3-6-11)16-14-12-8-10(18(20)21)4-7-13(12)17-15(14)19/h2-8H,1H3,(H,16,17,19)/p+1