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

Systemtic Name: [4-[(E)-3-azanyl-3-azanylidene-prop-1-enyl]phenyl] 4-[bis(azanyl)methylideneamino]benzoate Openeye Name: [4-[(E)-3-amino-3-imino-prop-1-enyl]phenyl] 4-guanidinobenzoate CAS Name: 4-(diaminomethylideneamino)benzoic acid [4-[(E)-3-amino-3-iminoprop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-3-amino-3-iminoprop-1-enyl]phenyl] 4-(diaminomethylideneamino)benzoate Traditional Name: 4-guanidinobenzoic acid [4-[(E)-3-amino-3-imino-prop-1-enyl]phenyl] ester Formula: C17H17N5O2 MolecularWeight: 323.34918

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC(=N)N)OC(=O)C2=CC=C(C=C2)N=C(N)N

Isomeric SMILES

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

InChI

InChI=1S/C17H17N5O2/c18-15(19)10-3-11-1-8-14(9-2-11)24-16(23)12-4-6-13(7-5-12)22-17(20)21/h1-10H,(H3,18,19)(H4,20,21,22)/b10-3+