benzotriazol-1-ylmethyl 3-azanyl-3-(3-nitrophenyl)propanoate

Systemtic Name: benzotriazol-1-ylmethyl 3-azanyl-3-(3-nitrophenyl)propanoate Openeye Name: benzotriazol-1-ylmethyl 3-amino-3-(3-nitrophenyl)propanoate CAS Name: 3-amino-3-(3-nitrophenyl)propanoic acid 1-benzotriazolylmethyl ester IUPAC Name: benzotriazol-1-ylmethyl 3-amino-3-(3-nitrophenyl)propanoate Traditional Name: 3-amino-3-(3-nitrophenyl)propionic acid benzotriazol-1-ylmethyl ester Formula: C16H15N5O4 MolecularWeight: 341.3214

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2COC(=O)CC(C3=CC(=CC=C3)[N+](=O)[O-])N

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2COC(=O)CC(C3=CC(=CC=C3)[N+](=O)[O-])N

InChI

InChI=1S/C16H15N5O4/c17-13(11-4-3-5-12(8-11)21(23)24)9-16(22)25-10-20-15-7-2-1-6-14(15)18-19-20/h1-8,13H,9-10,17H2