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

Systemtic Name: methyl 2-[7-nitro-2-[(propan-2-ylamino)methyl]-1,2,3,4-tetrahydroquinolin-6-yl]ethanoate Openeye Name: methyl 2-[2-[(isopropylamino)methyl]-7-nitro-1,2,3,4-tetrahydroquinolin-6-yl]acetate CAS Name: 2-[7-nitro-2-[(propan-2-ylamino)methyl]-1,2,3,4-tetrahydroquinolin-6-yl]acetic acid methyl ester IUPAC Name: methyl 2-[7-nitro-2-[(propan-2-ylamino)methyl]-1,2,3,4-tetrahydroquinolin-6-yl]acetate Traditional Name: 2-[2-[(isopropylamino)methyl]-7-nitro-1,2,3,4-tetrahydroquinolin-6-yl]acetic acid methyl ester Formula: C16H23N3O4 MolecularWeight: 321.37152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O4/c1-10(2)17-9-13-5-4-11-6-12(7-16(20)23-3)15(19(21)22)8-14(11)18-13/h6,8,10,13,17-18H,4-5,7,9H2,1-3H3