methyl 4-methoxy-3-nitro-2-[[(2S)-2-[(phenylmethyl)amino]propyl]amino]benzoate

Systemtic Name: methyl 4-methoxy-3-nitro-2-[[(2S)-2-[(phenylmethyl)amino]propyl]amino]benzoate Openeye Name: methyl 2-[[(2S)-2-(benzylamino)propyl]amino]-4-methoxy-3-nitro-benzoate CAS Name: 4-methoxy-3-nitro-2-[[(2S)-2-[(phenylmethyl)amino]propyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[(2S)-2-(benzylamino)propyl]amino]-4-methoxy-3-nitrobenzoate Traditional Name: 2-[[(2S)-2-(benzylamino)propyl]amino]-4-methoxy-3-nitro-benzoic acid methyl ester Formula: C19H23N3O5 MolecularWeight: 373.40302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CNC1=C(C=CC(=C1[N+](=O)[O-])OC)C(=O)OC)NCC2=CC=CC=C2

Isomeric SMILES

C[C@@H](CNC1=C(C=CC(=C1[N+](=O)[O-])OC)C(=O)OC)NCC2=CC=CC=C2

InChI

InChI=1S/C19H23N3O5/c1-13(20-12-14-7-5-4-6-8-14)11-21-17-15(19(23)27-3)9-10-16(26-2)18(17)22(24)25/h4-10,13,20-21H,11-12H2,1-3H3/t13-/m0/s1