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

Systemtic Name: methyl 2-[[2,4-dinitro-5-(3-phenylpropylamino)phenyl]amino]-3-methyl-butanoate Openeye Name: methyl 2-[2,4-dinitro-5-(3-phenylpropylamino)anilino]-3-methyl-butanoate CAS Name: 2-[2,4-dinitro-5-(3-phenylpropylamino)anilino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl 2-[2,4-dinitro-5-(3-phenylpropylamino)anilino]-3-methylbutanoate Traditional Name: 2-[2,4-dinitro-5-(3-phenylpropylamino)anilino]-3-methyl-butyric acid methyl ester Formula: C21H26N4O6 MolecularWeight: 430.45434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O6/c1-14(2)20(21(26)31-3)23-17-12-16(18(24(27)28)13-19(17)25(29)30)22-11-7-10-15-8-5-4-6-9-15/h4-6,8-9,12-14,20,22-23H,7,10-11H2,1-3H3