2-(2-methyl-8-nitro-1-oxidanylidene-3,4,5,6-tetrahydroazocino[3,4-b]indol-11-yl)ethanoic acid

Systemtic Name: 2-(2-methyl-8-nitro-1-oxidanylidene-3,4,5,6-tetrahydroazocino[3,4-b]indol-11-yl)ethanoic acid Openeye Name: 2-(2-methyl-8-nitro-1-oxo-3,4,5,6-tetrahydroazocino[3,4-b]indol-11-yl)acetic acid CAS Name: 2-(2-methyl-8-nitro-1-oxo-3,4,5,6-tetrahydroazocino[3,4-b]indol-11-yl)acetic acid IUPAC Name: 2-(2-methyl-8-nitro-1-oxo-3,4,5,6-tetrahydroazocino[3,4-b]indol-11-yl)acetic acid Traditional Name: 2-(1-keto-2-methyl-8-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=C(C=C3)[N+](=O)[O-])CC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O5/c1-17-7-3-2-4-11-12-8-10(19(23)24)5-6-13(12)18(9-14(20)21)15(11)16(17)22/h5-6,8H,2-4,7,9H2,1H3,(H,20,21)