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2-(1-azanyl-3-phenylmethoxycarbonyl-1,2-diazepin-1-ium-1-yl)ethanoic acid

2-(1-azanyl-3-phenylmethoxycarbonyl-1,2-diazepin-1-ium-1-yl)ethanoic acid

Systemtic Name:2-(1-azanyl-3-phenylmethoxycarbonyl-1,2-diazepin-1-ium-1-yl)ethanoic acid
Openeye Name:2-(1-amino-3-benzyloxycarbonyl-diazepin-1-ium-1-yl)acetic acid
CAS Name:2-(1-amino-3-phenylmethoxycarbonyl-1-diazepin-1-iumyl)acetic acid
IUPAC Name:2-(1-amino-3-phenylmethoxycarbonyldiazepin-1-ium-1-yl)acetic acid
Traditional Name:2-(1-amino-3-carbobenzoxy-diazepin-1-ium-1-yl)acetic acid
Formula: C15H16N3O4+
MolecularWeight: 302.30524
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C2=N[N+](C=CC=C2)(CC(=O)O)N


Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C2=N[N+](C=CC=C2)(CC(=O)O)N


InChI

InChI=1S/C15H15N3O4/c16-18(10-14(19)20)9-5-4-8-13(17-18)15(21)22-11-12-6-2-1-3-7-12/h1-9H,10-11,16H2/p+1


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