[(1R)-1-(3-nitrophenyl)ethyl] 4-(2-methoxyethylamino)-3-nitro-benzoate

Systemtic Name: [(1R)-1-(3-nitrophenyl)ethyl] 4-(2-methoxyethylamino)-3-nitro-benzoate Openeye Name: [(1R)-1-(3-nitrophenyl)ethyl] 4-(2-methoxyethylamino)-3-nitro-benzoate CAS Name: 4-(2-methoxyethylamino)-3-nitrobenzoic acid [(1R)-1-(3-nitrophenyl)ethyl] ester IUPAC Name: [(1R)-1-(3-nitrophenyl)ethyl] 4-(2-methoxyethylamino)-3-nitrobenzoate Traditional Name: 4-(2-methoxyethylamino)-3-nitro-benzoic acid [(1R)-1-(3-nitrophenyl)ethyl] ester Formula: C18H19N3O7 MolecularWeight: 389.35936

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2=CC(=C(C=C2)NCCOC)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2=CC(=C(C=C2)NCCOC)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O7/c1-12(13-4-3-5-15(10-13)20(23)24)28-18(22)14-6-7-16(19-8-9-27-2)17(11-14)21(25)26/h3-7,10-12,19H,8-9H2,1-2H3/t12-/m1/s1