[[(2S)-2-azanyl-3-phenyl-propanoyl]amino] 4-nitrobenzoate

Systemtic Name: [[(2S)-2-azanyl-3-phenyl-propanoyl]amino] 4-nitrobenzoate Openeye Name: [[(2S)-2-amino-3-phenyl-propanoyl]amino] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [[(2S)-2-amino-1-oxo-3-phenylpropyl]amino] ester IUPAC Name: [[(2S)-2-amino-3-phenylpropanoyl]amino] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [[(2S)-2-amino-3-phenyl-propanoyl]amino] ester Formula: C16H15N3O5 MolecularWeight: 329.3074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)NOC(=O)C2=CC=C(C=C2)[N+](=O)[O-])N

InChI

InChI=1S/C16H15N3O5/c17-14(10-11-4-2-1-3-5-11)15(20)18-24-16(21)12-6-8-13(9-7-12)19(22)23/h1-9,14H,10,17H2,(H,18,20)/t14-/m0/s1