[4-(4-oxidanylidenechromen-2-yl)phenyl] 2-azanyl-5-[bis(azanyl)methylideneamino]pentanoate

Systemtic Name: [4-(4-oxidanylidenechromen-2-yl)phenyl] 2-azanyl-5-[bis(azanyl)methylideneamino]pentanoate Openeye Name: [4-(4-oxochromen-2-yl)phenyl] 2-amino-5-guanidino-pentanoate CAS Name: 2-amino-5-(diaminomethylideneamino)pentanoic acid [4-(4-oxo-1-benzopyran-2-yl)phenyl] ester IUPAC Name: [4-(4-oxochromen-2-yl)phenyl] 2-amino-5-(diaminomethylideneamino)pentanoate Traditional Name: 2-amino-5-guanidino-valeric acid [4-(4-ketochromen-2-yl)phenyl] ester Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C=C(O2)C3=CC=C(C=C3)OC(=O)C(CCCN=C(N)N)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C=C(O2)C3=CC=C(C=C3)OC(=O)C(CCCN=C(N)N)N

InChI

InChI=1S/C21H22N4O4/c22-16(5-3-11-25-21(23)24)20(27)28-14-9-7-13(8-10-14)19-12-17(26)15-4-1-2-6-18(15)29-19/h1-2,4,6-10,12,16H,3,5,11,22H2,(H4,23,24,25)