methyl 2-(2-butyl-8-nitro-1-oxidanylidene-3,4-dihydropyrido[3,4-b]indol-9-yl)ethanoate

Systemtic Name: methyl 2-(2-butyl-8-nitro-1-oxidanylidene-3,4-dihydropyrido[3,4-b]indol-9-yl)ethanoate Openeye Name: methyl 2-(2-butyl-8-nitro-1-oxo-3,4-dihydropyrido[3,4-b]indol-9-yl)acetate CAS Name: 2-(2-butyl-8-nitro-1-oxo-3,4-dihydropyrido[3,4-b]indol-9-yl)acetic acid methyl ester IUPAC Name: methyl 2-(2-butyl-8-nitro-1-oxo-3,4-dihydropyrido[3,4-b]indol-9-yl)acetate Traditional Name: 2-(2-butyl-1-keto-8-nitro-3,4-dihydro-$b-carbolin-9-yl)acetic acid methyl ester Formula: C18H21N3O5 MolecularWeight: 359.37644

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCC2=C(C1=O)N(C3=C2C=CC=C3[N+](=O)[O-])CC(=O)OC

Isomeric SMILES

CCCCN1CCC2=C(C1=O)N(C3=C2C=CC=C3[N+](=O)[O-])CC(=O)OC

InChI

InChI=1S/C18H21N3O5/c1-3-4-9-19-10-8-13-12-6-5-7-14(21(24)25)16(12)20(11-15(22)26-2)17(13)18(19)23/h5-7H,3-4,8-11H2,1-2H3