2-azanyl-2-[1-azanyl-2-[(E)-diazanylidenemethyl]-1-(2-ethylphenyl)prop-2-enyl]-3,6-bis(oxidanylidene)hexanoic acid

Systemtic Name: 2-azanyl-2-[1-azanyl-2-[(E)-diazanylidenemethyl]-1-(2-ethylphenyl)prop-2-enyl]-3,6-bis(oxidanylidene)hexanoic acid Openeye Name: 2-amino-2-[1-amino-1-(2-ethylphenyl)-2-[(E)-hydrazinylidenemethyl]allyl]-3,6-dioxo-hexanoic acid CAS Name: 2-amino-2-[1-amino-1-(2-ethylphenyl)-2-[(E)-hydrazinylidenemethyl]prop-2-enyl]-3,6-dioxohexanoic acid IUPAC Name: 2-amino-2-[1-amino-1-(2-ethylphenyl)-2-[(E)-hydrazinylidenemethyl]prop-2-enyl]-3,6-dioxohexanoic acid Traditional Name: 2,3-diamino-3-(2-ethylphenyl)-4-[(E)-hydrazonomethyl]-2-(4-ketobutanoyl)pent-4-enoic acid Formula: C18H24N4O4 MolecularWeight: 360.40756

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1C(C(=C)C=NN)(C(C(=O)CCC=O)(C(=O)O)N)N

Isomeric SMILES

CCC1=CC=CC=C1C(C(=C)/C=N/N)(C(C(=O)CCC=O)(C(=O)O)N)N

InChI

InChI=1S/C18H24N4O4/c1-3-13-7-4-5-8-14(13)17(19,12(2)11-22-21)18(20,16(25)26)15(24)9-6-10-23/h4-5,7-8,10-11H,2-3,6,9,19-21H2,1H3,(H,25,26)/b22-11+