2-(2-butyl-6-nitro-1-oxidanylidene-3,4-dihydropyrido[3,4-b]indol-9-yl)ethanoic acid

Systemtic Name: 2-(2-butyl-6-nitro-1-oxidanylidene-3,4-dihydropyrido[3,4-b]indol-9-yl)ethanoic acid Openeye Name: 2-(2-butyl-6-nitro-1-oxo-3,4-dihydropyrido[3,4-b]indol-9-yl)acetic acid CAS Name: 2-(2-butyl-6-nitro-1-oxo-3,4-dihydropyrido[3,4-b]indol-9-yl)acetic acid IUPAC Name: 2-(2-butyl-6-nitro-1-oxo-3,4-dihydropyrido[3,4-b]indol-9-yl)acetic acid Traditional Name: 2-(2-butyl-1-keto-6-nitro-3,4-dihydro-$b-carbolin-9-yl)acetic acid Formula: C17H19N3O5 MolecularWeight: 345.34986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O5/c1-2-3-7-18-8-6-12-13-9-11(20(24)25)4-5-14(13)19(10-15(21)22)16(12)17(18)23/h4-5,9H,2-3,6-8,10H2,1H3,(H,21,22)