methyl 6-methyl-3-nitro-2-[[(2S)-2-[(phenylmethyl)amino]propyl]amino]benzoate

Systemtic Name: methyl 6-methyl-3-nitro-2-[[(2S)-2-[(phenylmethyl)amino]propyl]amino]benzoate Openeye Name: methyl 2-[[(2S)-2-(benzylamino)propyl]amino]-6-methyl-3-nitro-benzoate CAS Name: 6-methyl-3-nitro-2-[[(2S)-2-[(phenylmethyl)amino]propyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[(2S)-2-(benzylamino)propyl]amino]-6-methyl-3-nitrobenzoate Traditional Name: 2-[[(2S)-2-(benzylamino)propyl]amino]-6-methyl-3-nitro-benzoic acid methyl ester Formula: C19H23N3O4 MolecularWeight: 357.40362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)[N+](=O)[O-])NCC(C)NCC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC[C@H](C)NCC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C19H23N3O4/c1-13-9-10-16(22(24)25)18(17(13)19(23)26-3)21-11-14(2)20-12-15-7-5-4-6-8-15/h4-10,14,20-21H,11-12H2,1-3H3/t14-/m0/s1