methyl (E)-4-(4-methyl-6-nitro-3,4-dihydro-1H-isoquinolin-2-yl)but-2-enoate

Systemtic Name: methyl (E)-4-(4-methyl-6-nitro-3,4-dihydro-1H-isoquinolin-2-yl)but-2-enoate Openeye Name: methyl (E)-4-(4-methyl-6-nitro-3,4-dihydro-1H-isoquinolin-2-yl)but-2-enoate CAS Name: (E)-4-(4-methyl-6-nitro-3,4-dihydro-1H-isoquinolin-2-yl)-2-butenoic acid methyl ester IUPAC Name: methyl (E)-4-(4-methyl-6-nitro-3,4-dihydro-1H-isoquinolin-2-yl)but-2-enoate Traditional Name: (E)-4-(4-methyl-6-nitro-3,4-dihydro-1H-isoquinolin-2-yl)but-2-enoic acid methyl ester Formula: C15H18N2O4 MolecularWeight: 290.31442

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC2=C1C=C(C=C2)[N+](=O)[O-])CC=CC(=O)OC

Isomeric SMILES

CC1CN(CC2=C1C=C(C=C2)[N+](=O)[O-])C/C=C/C(=O)OC

InChI

InChI=1S/C15H18N2O4/c1-11-9-16(7-3-4-15(18)21-2)10-12-5-6-13(17(19)20)8-14(11)12/h3-6,8,11H,7,9-10H2,1-2H3/b4-3+