methyl 5-[bis(azanyl)methylideneamino]-2-[(5-methyl-4-oxidanylidene-3,1-benzoxazin-2-yl)amino]pentanoate

Systemtic Name: methyl 5-[bis(azanyl)methylideneamino]-2-[(5-methyl-4-oxidanylidene-3,1-benzoxazin-2-yl)amino]pentanoate Openeye Name: methyl 5-guanidino-2-[(5-methyl-4-oxo-3,1-benzoxazin-2-yl)amino]pentanoate CAS Name: 5-(diaminomethylideneamino)-2-[(5-methyl-4-oxo-3,1-benzoxazin-2-yl)amino]pentanoic acid methyl ester IUPAC Name: methyl 5-(diaminomethylideneamino)-2-[(5-methyl-4-oxo-3,1-benzoxazin-2-yl)amino]pentanoate Traditional Name: 5-guanidino-2-[(4-keto-5-methyl-3,1-benzoxazin-2-yl)amino]valeric acid methyl ester Formula: C16H21N5O4 MolecularWeight: 347.36904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N=C(OC2=O)NC(CCCN=C(N)N)C(=O)OC

Isomeric SMILES

CC1=C2C(=CC=C1)N=C(OC2=O)NC(CCCN=C(N)N)C(=O)OC

InChI

InChI=1S/C16H21N5O4/c1-9-5-3-6-10-12(9)14(23)25-16(20-10)21-11(13(22)24-2)7-4-8-19-15(17)18/h3,5-6,11H,4,7-8H2,1-2H3,(H,20,21)(H4,17,18,19)