[2-(5-ethanoyl-4-oxidanylidene-3,1-benzoxazin-2-yl)phenyl] 4-[bis(azanyl)methylideneamino]benzoate

Systemtic Name: [2-(5-ethanoyl-4-oxidanylidene-3,1-benzoxazin-2-yl)phenyl] 4-[bis(azanyl)methylideneamino]benzoate Openeye Name: [2-(5-acetyl-4-oxo-3,1-benzoxazin-2-yl)phenyl] 4-guanidinobenzoate CAS Name: 4-(diaminomethylideneamino)benzoic acid [2-(5-acetyl-4-oxo-3,1-benzoxazin-2-yl)phenyl] ester IUPAC Name: [2-(5-acetyl-4-oxo-3,1-benzoxazin-2-yl)phenyl] 4-(diaminomethylideneamino)benzoate Traditional Name: 4-guanidinobenzoic acid [2-(5-acetyl-4-keto-3,1-benzoxazin-2-yl)phenyl] ester Formula: C24H18N4O5 MolecularWeight: 442.42352

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C2C(=CC=C1)N=C(OC2=O)C3=CC=CC=C3OC(=O)C4=CC=C(C=C4)N=C(N)N

Isomeric SMILES

CC(=O)C1=C2C(=CC=C1)N=C(OC2=O)C3=CC=CC=C3OC(=O)C4=CC=C(C=C4)N=C(N)N

InChI

InChI=1S/C24H18N4O5/c1-13(29)16-6-4-7-18-20(16)23(31)33-21(28-18)17-5-2-3-8-19(17)32-22(30)14-9-11-15(12-10-14)27-24(25)26/h2-12H,1H3,(H4,25,26,27)