3-[(4-butan-2-ylphenyl)amino]-5-nitro-indol-2-one

Systemtic Name: 3-[(4-butan-2-ylphenyl)amino]-5-nitro-indol-2-one Openeye Name: 5-nitro-3-(4-sec-butylanilino)indol-2-one CAS Name: 3-(4-butan-2-ylanilino)-5-nitro-2-indolone IUPAC Name: 3-(4-butan-2-ylanilino)-5-nitroindol-2-one Traditional Name: 5-nitro-3-(4-sec-butylanilino)indol-2-one Formula: C18H17N3O3 MolecularWeight: 323.34588

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC2=C3C=C(C=CC3=NC2=O)[N+](=O)[O-]

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)NC2=C3C=C(C=CC3=NC2=O)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O3/c1-3-11(2)12-4-6-13(7-5-12)19-17-15-10-14(21(23)24)8-9-16(15)20-18(17)22/h4-11H,3H2,1-2H3,(H,19,20,22)