[(3S)-7-nitro-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl carbamate

Systemtic Name: [(3S)-7-nitro-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl carbamate Openeye Name: [(3S)-7-nitro-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl carbamate CAS Name: carbamic acid [(3S)-7-nitro-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl ester IUPAC Name: [(3S)-7-nitro-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl carbamate Traditional Name: carbamic acid [(3S)-7-nitro-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl ester Formula: C11H13N3O4 MolecularWeight: 251.23862

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NCC2=C1C=CC(=C2)[N+](=O)[O-])COC(=O)N

Isomeric SMILES

C1[C@H](NCC2=C1C=CC(=C2)[N+](=O)[O-])COC(=O)N

InChI

InChI=1S/C11H13N3O4/c12-11(15)18-6-9-3-7-1-2-10(14(16)17)4-8(7)5-13-9/h1-2,4,9,13H,3,5-6H2,(H2,12,15)/t9-/m0/s1