2-(2-methyl-10-nitro-1-oxidanylidene-3,4,5,6-tetrahydroazocino[3,4-b]indol-11-yl)ethanoic acid

Systemtic Name: 2-(2-methyl-10-nitro-1-oxidanylidene-3,4,5,6-tetrahydroazocino[3,4-b]indol-11-yl)ethanoic acid Openeye Name: 2-(2-methyl-10-nitro-1-oxo-3,4,5,6-tetrahydroazocino[3,4-b]indol-11-yl)acetic acid CAS Name: 2-(2-methyl-10-nitro-1-oxo-3,4,5,6-tetrahydroazocino[3,4-b]indol-11-yl)acetic acid IUPAC Name: 2-(2-methyl-10-nitro-1-oxo-3,4,5,6-tetrahydroazocino[3,4-b]indol-11-yl)acetic acid Traditional Name: 2-(1-keto-2-methyl-10-nitro-3,4,5,6-tetrahydroazocin[3,4-b]indol-11-yl)acetic acid Formula: C16H17N3O5 MolecularWeight: 331.32328

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCCC2=C(C1=O)N(C3=C2C=CC=C3[N+](=O)[O-])CC(=O)O

Isomeric SMILES

CN1CCCCC2=C(C1=O)N(C3=C2C=CC=C3[N+](=O)[O-])CC(=O)O

InChI

InChI=1S/C16H17N3O5/c1-17-8-3-2-5-11-10-6-4-7-12(19(23)24)14(10)18(9-13(20)21)15(11)16(17)22/h4,6-7H,2-3,5,8-9H2,1H3,(H,20,21)