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

Systemtic Name: 3-[(4-methoxy-2-nitro-phenyl)amino]-5-nitro-indol-1-ium-2-one Openeye Name: 3-(4-methoxy-2-nitro-anilino)-5-nitro-indol-1-ium-2-one CAS Name: 3-(4-methoxy-2-nitroanilino)-5-nitro-2-indol-1-iumone IUPAC Name: 3-(4-methoxy-2-nitroanilino)-5-nitroindol-1-ium-2-one Traditional Name: 3-(4-methoxy-2-nitro-anilino)-5-nitro-indol-1-ium-2-one Formula: C15H11N4O6+ MolecularWeight: 343.27104

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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-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C15H10N4O6/c1-25-9-3-5-12(13(7-9)19(23)24)16-14-10-6-8(18(21)22)2-4-11(10)17-15(14)20/h2-7H,1H3,(H,16,17,20)/p+1