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

Systemtic Name: methyl 2-[[5-(heptylamino)-2,4-dinitro-phenyl]amino]-3-methyl-butanoate Openeye Name: methyl 2-[5-(heptylamino)-2,4-dinitro-anilino]-3-methyl-butanoate CAS Name: 2-[5-(heptylamino)-2,4-dinitroanilino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl 2-[5-(heptylamino)-2,4-dinitroanilino]-3-methylbutanoate Traditional Name: 2-[5-(heptylamino)-2,4-dinitro-anilino]-3-methyl-butyric acid methyl ester Formula: C19H30N4O6 MolecularWeight: 410.4647

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NC(C(C)C)C(=O)OC

Isomeric SMILES

CCCCCCCNC1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NC(C(C)C)C(=O)OC

InChI

InChI=1S/C19H30N4O6/c1-5-6-7-8-9-10-20-14-11-15(21-18(13(2)3)19(24)29-4)17(23(27)28)12-16(14)22(25)26/h11-13,18,20-21H,5-10H2,1-4H3