2-azanyl-3-[3,4-bis(oxidanyl)phenyl]propanoic acid; 1,2-diethylphenazine

Systemtic Name: 2-azanyl-3-[3,4-bis(oxidanyl)phenyl]propanoic acid; 1,2-diethylphenazine Openeye Name: 2-amino-3-(3,4-dihydroxyphenyl)propanoic acid; 1,2-diethylphenazine CAS Name: 2-amino-3-(3,4-dihydroxyphenyl)propanoic acid; 1,2-diethylphenazine IUPAC Name: 2-amino-3-(3,4-dihydroxyphenyl)propanoic acid; 1,2-diethylphenazine Traditional Name: 2-amino-3-(3,4-dihydroxyphenyl)propionic acid; 1,2-diethylphenazine Formula: C25H27N3O4 MolecularWeight: 433.49958

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=NC3=CC=CC=C3N=C2C=C1)CC.C1=CC(=C(C=C1CC(C(=O)O)N)O)O

Isomeric SMILES

CCC1=C(C2=NC3=CC=CC=C3N=C2C=C1)CC.C1=CC(=C(C=C1CC(C(=O)O)N)O)O

InChI

InChI=1S/C16H16N2.C9H11NO4/c1-3-11-9-10-15-16(12(11)4-2)18-14-8-6-5-7-13(14)17-15;10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h5-10H,3-4H2,1-2H3;1-2,4,6,11-12H,3,10H2,(H,13,14)