3,4-dimethyl-2,6-dinitro-N-pentan-3-yl-aniline; 2-(phosphonomethylamino)ethanoic acid; propan-2-amine

Systemtic Name: 3,4-dimethyl-2,6-dinitro-N-pentan-3-yl-aniline; 2-(phosphonomethylamino)ethanoic acid; propan-2-amine Openeye Name: N-(1-ethylpropyl)-3,4-dimethyl-2,6-dinitro-aniline; 2-(phosphonomethylamino)acetic acid; propan-2-amine CAS Name: 3,4-dimethyl-2,6-dinitro-N-pentan-3-ylaniline; 2-(phosphonomethylamino)acetic acid; 2-propanamine IUPAC Name: 3,4-dimethyl-2,6-dinitro-N-pentan-3-ylaniline; 2-(phosphonomethylamino)acetic acid; propan-2-amine Traditional Name: (3,4-dimethyl-2,6-dinitro-phenyl)-(1-ethylpropyl)amine; isopropylamine; 2-(phosphonomethylamino)acetic acid Formula: C19H36N5O9P MolecularWeight: 509.491001

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC1=C(C=C(C(=C1[N+](=O)[O-])C)C)[N+](=O)[O-].CC(C)N.C(C(=O)O)NCP(=O)(O)O

Isomeric SMILES

CCC(CC)NC1=C(C=C(C(=C1[N+](=O)[O-])C)C)[N+](=O)[O-].CC(C)N.C(C(=O)O)NCP(=O)(O)O

InChI

InChI=1S/C13H19N3O4.C3H8NO5P.C3H9N/c1-5-10(6-2)14-12-11(15(17)18)7-8(3)9(4)13(12)16(19)20;5-3(6)1-4-2-10(7,8)9;1-3(2)4/h7,10,14H,5-6H2,1-4H3;4H,1-2H2,(H,5,6)(H2,7,8,9);3H,4H2,1-2H3