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

Systemtic Name: 3-[(4-ethoxyphenyl)amino]-5-nitro-indol-1-ium-2-one Openeye Name: 3-(4-ethoxyanilino)-5-nitro-indol-1-ium-2-one CAS Name: 3-(4-ethoxyanilino)-5-nitro-2-indol-1-iumone IUPAC Name: 3-(4-ethoxyanilino)-5-nitroindol-1-ium-2-one Traditional Name: 5-nitro-3-(p-phenetidino)indol-1-ium-2-one Formula: C16H14N3O4+ MolecularWeight: 312.30006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC2=C3C=C(C=CC3=[NH+]C2=O)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)NC2=C3C=C(C=CC3=[NH+]C2=O)[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O4/c1-2-23-12-6-3-10(4-7-12)17-15-13-9-11(19(21)22)5-8-14(13)18-16(15)20/h3-9H,2H2,1H3,(H,17,18,20)/p+1