5-(aminocarbonylamino)-2-[(2,4-dinitrophenyl)amino]pentanoic acid

Systemtic Name: 5-(aminocarbonylamino)-2-[(2,4-dinitrophenyl)amino]pentanoic acid Openeye Name: 2-(2,4-dinitroanilino)-5-ureido-pentanoic acid CAS Name: 5-(carbamoylamino)-2-(2,4-dinitroanilino)pentanoic acid IUPAC Name: 5-(carbamoylamino)-2-(2,4-dinitroanilino)pentanoic acid Traditional Name: 2-(2,4-dinitroanilino)-5-ureido-valeric acid Formula: C12H15N5O7 MolecularWeight: 341.2768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N5O7/c13-12(20)14-5-1-2-9(11(18)19)15-8-4-3-7(16(21)22)6-10(8)17(23)24/h3-4,6,9,15H,1-2,5H2,(H,18,19)(H3,13,14,20)