ethyl 3-(1-acetamido-2-methyl-7-nitro-3,4-dihydro-1H-isoquinolin-8-yl)propanoate

Systemtic Name: ethyl 3-(1-acetamido-2-methyl-7-nitro-3,4-dihydro-1H-isoquinolin-8-yl)propanoate Openeye Name: ethyl 3-(1-acetamido-2-methyl-7-nitro-3,4-dihydro-1H-isoquinolin-8-yl)propanoate CAS Name: 3-(1-acetamido-2-methyl-7-nitro-3,4-dihydro-1H-isoquinolin-8-yl)propanoic acid ethyl ester IUPAC Name: ethyl 3-(1-acetamido-2-methyl-7-nitro-3,4-dihydro-1H-isoquinolin-8-yl)propanoate Traditional Name: 3-(1-acetamido-2-methyl-7-nitro-3,4-dihydro-1H-isoquinolin-8-yl)propionic acid ethyl ester Formula: C17H23N3O5 MolecularWeight: 349.38162

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=C(C=CC2=C1C(N(CC2)C)NC(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CCC1=C(C=CC2=C1C(N(CC2)C)NC(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C17H23N3O5/c1-4-25-15(22)8-6-13-14(20(23)24)7-5-12-9-10-19(3)17(16(12)13)18-11(2)21/h5,7,17H,4,6,8-10H2,1-3H3,(H,18,21)