methyl 2-[1-(1-methylindol-3-yl)ethyl]-2-nitro-pent-4-enoate

Systemtic Name: methyl 2-[1-(1-methylindol-3-yl)ethyl]-2-nitro-pent-4-enoate Openeye Name: methyl 2-[1-(1-methylindol-3-yl)ethyl]-2-nitro-pent-4-enoate CAS Name: 2-[1-(1-methyl-3-indolyl)ethyl]-2-nitro-4-pentenoic acid methyl ester IUPAC Name: methyl 2-[1-(1-methylindol-3-yl)ethyl]-2-nitropent-4-enoate Traditional Name: 2-[1-(1-methylindol-3-yl)ethyl]-2-nitro-pent-4-enoic acid methyl ester Formula: C17H20N2O4 MolecularWeight: 316.3517

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CN(C2=CC=CC=C21)C)C(CC=C)(C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C1=CN(C2=CC=CC=C21)C)C(CC=C)(C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C17H20N2O4/c1-5-10-17(19(21)22,16(20)23-4)12(2)14-11-18(3)15-9-7-6-8-13(14)15/h5-9,11-12H,1,10H2,2-4H3