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

Systemtic Name: [(1R)-1-(3-nitrophenyl)ethyl] 4-(methylamino)-3-nitro-benzoate Openeye Name: [(1R)-1-(3-nitrophenyl)ethyl] 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid [(1R)-1-(3-nitrophenyl)ethyl] ester IUPAC Name: [(1R)-1-(3-nitrophenyl)ethyl] 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid [(1R)-1-(3-nitrophenyl)ethyl] ester Formula: C16H15N3O6 MolecularWeight: 345.3068

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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)NC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O6/c1-10(11-4-3-5-13(8-11)18(21)22)25-16(20)12-6-7-14(17-2)15(9-12)19(23)24/h3-10,17H,1-2H3/t10-/m1/s1