2-[[2-[[4-(aminomethyl)phenyl]amino]phenyl]carbamoyl]-4,5-bis(chloranyl)benzoic acid hydrochloride

Systemtic Name: 2-[[2-[[4-(aminomethyl)phenyl]amino]phenyl]carbamoyl]-4,5-bis(chloranyl)benzoic acid hydrochloride Openeye Name: 2-[[2-[4-(aminomethyl)anilino]phenyl]carbamoyl]-4,5-dichloro-benzoic acid hydrochloride CAS Name: 2-[[2-[4-(aminomethyl)anilino]anilino]-oxomethyl]-4,5-dichlorobenzoic acid hydrochloride IUPAC Name: 2-[[2-[4-(aminomethyl)anilino]phenyl]carbamoyl]-4,5-dichlorobenzoic acid hydrochloride Traditional Name: 2-[[2-[4-(aminomethyl)anilino]phenyl]carbamoyl]-4,5-dichloro-benzoic acid hydrochloride Formula: C21H18Cl3N3O3 MolecularWeight: 466.74492

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC2=CC=C(C=C2)CN)NC(=O)C3=CC(=C(C=C3C(=O)O)Cl)Cl.Cl

Isomeric SMILES

C1=CC=C(C(=C1)NC2=CC=C(C=C2)CN)NC(=O)C3=CC(=C(C=C3C(=O)O)Cl)Cl.Cl

InChI

InChI=1S/C21H17Cl2N3O3.ClH/c22-16-9-14(15(21(28)29)10-17(16)23)20(27)26-19-4-2-1-3-18(19)25-13-7-5-12(11-24)6-8-13;/h1-10,25H,11,24H2,(H,26,27)(H,28,29);1H