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3-[2-[3-[bis(azanyl)methylidenecarbamoyl]phenyl]ethyl]benzoic acid

3-[2-[3-[bis(azanyl)methylidenecarbamoyl]phenyl]ethyl]benzoic acid

Systemtic Name:3-[2-[3-[bis(azanyl)methylidenecarbamoyl]phenyl]ethyl]benzoic acid
Openeye Name:3-[2-[3-(diaminomethylenecarbamoyl)phenyl]ethyl]benzoic acid
CAS Name:3-[2-[3-[(diaminomethylideneamino)-oxomethyl]phenyl]ethyl]benzoic acid
IUPAC Name:3-[2-[3-(diaminomethylidenecarbamoyl)phenyl]ethyl]benzoic acid
Traditional Name:3-[2-[3-(diaminomethylenecarbamoyl)phenyl]ethyl]benzoic acid
Formula: C17H17N3O3
MolecularWeight: 311.33518
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CCC2=CC=CC(=C2)C(=O)O)C(=O)N=C(N)N


Isomeric SMILES

C1=CC(=CC(=C1)CCC2=CC=CC(=C2)C(=O)O)C(=O)N=C(N)N


InChI

InChI=1S/C17H17N3O3/c18-17(19)20-15(21)13-5-1-3-11(9-13)7-8-12-4-2-6-14(10-12)16(22)23/h1-6,9-10H,7-8H2,(H,22,23)(H4,18,19,20,21)


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