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

Systemtic Name: 3-[(3-methylphenyl)amino]-5-nitro-indol-1-ium-2-one Openeye Name: 3-(3-methylanilino)-5-nitro-indol-1-ium-2-one CAS Name: 3-(3-methylanilino)-5-nitro-2-indol-1-iumone IUPAC Name: 3-(3-methylanilino)-5-nitroindol-1-ium-2-one Traditional Name: 3-(m-toluidino)-5-nitro-indol-1-ium-2-one Formula: C15H12N3O3+ MolecularWeight: 282.27408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=C3C=C(C=CC3=[NH+]C2=O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)NC2=C3C=C(C=CC3=[NH+]C2=O)[N+](=O)[O-]

InChI

InChI=1S/C15H11N3O3/c1-9-3-2-4-10(7-9)16-14-12-8-11(18(20)21)5-6-13(12)17-15(14)19/h2-8H,1H3,(H,16,17,19)/p+1