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

Systemtic Name: methyl 2-(2-methyl-10-nitro-1-oxidanylidene-3,4,5,6-tetrahydroazocino[3,4-b]indol-11-yl)ethanoate Openeye Name: methyl 2-(2-methyl-10-nitro-1-oxo-3,4,5,6-tetrahydroazocino[3,4-b]indol-11-yl)acetate CAS Name: 2-(2-methyl-10-nitro-1-oxo-3,4,5,6-tetrahydroazocino[3,4-b]indol-11-yl)acetic acid methyl ester IUPAC Name: methyl 2-(2-methyl-10-nitro-1-oxo-3,4,5,6-tetrahydroazocino[3,4-b]indol-11-yl)acetate Traditional Name: 2-(1-keto-2-methyl-10-nitro-3,4,5,6-tetrahydroazocin[3,4-b]indol-11-yl)acetic acid methyl ester Formula: C17H19N3O5 MolecularWeight: 345.34986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O5/c1-18-9-4-3-6-12-11-7-5-8-13(20(23)24)15(11)19(10-14(21)25-2)16(12)17(18)22/h5,7-8H,3-4,6,9-10H2,1-2H3