methyl 2-[[2,4-dinitro-5-(3-phenylpropylamino)phenyl]amino]propanoate

Systemtic Name: methyl 2-[[2,4-dinitro-5-(3-phenylpropylamino)phenyl]amino]propanoate Openeye Name: methyl 2-[2,4-dinitro-5-(3-phenylpropylamino)anilino]propanoate CAS Name: 2-[2,4-dinitro-5-(3-phenylpropylamino)anilino]propanoic acid methyl ester IUPAC Name: methyl 2-[2,4-dinitro-5-(3-phenylpropylamino)anilino]propanoate Traditional Name: 2-[2,4-dinitro-5-(3-phenylpropylamino)anilino]propionic acid methyl ester Formula: C19H22N4O6 MolecularWeight: 402.40118

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)NC1=C(C=C(C(=C1)NCCCC2=CC=CC=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)OC)NC1=C(C=C(C(=C1)NCCCC2=CC=CC=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H22N4O6/c1-13(19(24)29-2)21-16-11-15(17(22(25)26)12-18(16)23(27)28)20-10-6-9-14-7-4-3-5-8-14/h3-5,7-8,11-13,20-21H,6,9-10H2,1-2H3