[4-[(E)-3-oxidanylidene-3-[(phenylmethyl)amino]prop-1-enyl]phenyl] 4-[bis(azanyl)methylideneamino]benzoate

Systemtic Name: [4-[(E)-3-oxidanylidene-3-[(phenylmethyl)amino]prop-1-enyl]phenyl] 4-[bis(azanyl)methylideneamino]benzoate Openeye Name: [4-[(E)-3-(benzylamino)-3-oxo-prop-1-enyl]phenyl] 4-guanidinobenzoate CAS Name: 4-(diaminomethylideneamino)benzoic acid [4-[(E)-3-oxo-3-[(phenylmethyl)amino]prop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-3-(benzylamino)-3-oxoprop-1-enyl]phenyl] 4-(diaminomethylideneamino)benzoate Traditional Name: 4-guanidinobenzoic acid [4-[(E)-3-(benzylamino)-3-keto-prop-1-enyl]phenyl] ester Formula: C24H22N4O3 MolecularWeight: 414.45648

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C=CC2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)N=C(N)N

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)/C=C/C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)N=C(N)N

InChI

InChI=1S/C24H22N4O3/c25-24(26)28-20-11-9-19(10-12-20)23(30)31-21-13-6-17(7-14-21)8-15-22(29)27-16-18-4-2-1-3-5-18/h1-15H,16H2,(H,27,29)(H4,25,26,28)/b15-8+