[7-nitro-2-[(propan-2-ylamino)methyl]-1,2,3,4-tetrahydroquinolin-6-yl]methyl 2-methylprop-2-enoate

Systemtic Name: [7-nitro-2-[(propan-2-ylamino)methyl]-1,2,3,4-tetrahydroquinolin-6-yl]methyl 2-methylprop-2-enoate Openeye Name: [2-[(isopropylamino)methyl]-7-nitro-1,2,3,4-tetrahydroquinolin-6-yl]methyl 2-methylprop-2-enoate CAS Name: 2-methyl-2-propenoic acid [7-nitro-2-[(propan-2-ylamino)methyl]-1,2,3,4-tetrahydroquinolin-6-yl]methyl ester IUPAC Name: [7-nitro-2-[(propan-2-ylamino)methyl]-1,2,3,4-tetrahydroquinolin-6-yl]methyl 2-methylprop-2-enoate Traditional Name: 2-methylacrylic acid [2-[(isopropylamino)methyl]-7-nitro-1,2,3,4-tetrahydroquinolin-6-yl]methyl ester Formula: C18H25N3O4 MolecularWeight: 347.4088

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCC1CCC2=CC(=C(C=C2N1)[N+](=O)[O-])COC(=O)C(=C)C

Isomeric SMILES

CC(C)NCC1CCC2=CC(=C(C=C2N1)[N+](=O)[O-])COC(=O)C(=C)C

InChI

InChI=1S/C18H25N3O4/c1-11(2)18(22)25-10-14-7-13-5-6-15(9-19-12(3)4)20-16(13)8-17(14)21(23)24/h7-8,12,15,19-20H,1,5-6,9-10H2,2-4H3