2-[[4-(azidomethyl)-2-chloranyl-phenyl]carbonylamino]-3-benzamido-propanoic acid

Systemtic Name: 2-[[4-(azidomethyl)-2-chloranyl-phenyl]carbonylamino]-3-benzamido-propanoic acid Openeye Name: 2-[[4-(azidomethyl)-2-chloro-benzoyl]amino]-3-benzamido-propanoic acid CAS Name: 2-[[[4-(azidomethyl)-2-chlorophenyl]-oxomethyl]amino]-3-benzamidopropanoic acid IUPAC Name: 2-[[4-(azidomethyl)-2-chlorobenzoyl]amino]-3-benzamidopropanoic acid Traditional Name: 2-[[4-(azidomethyl)-2-chloro-benzoyl]amino]-3-benzamido-propionic acid Formula: C18H16ClN5O4 MolecularWeight: 401.80374

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NCC(C(=O)O)NC(=O)C2=C(C=C(C=C2)CN=[N+]=[N-])Cl

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NCC(C(=O)O)NC(=O)C2=C(C=C(C=C2)CN=[N+]=[N-])Cl

InChI

InChI=1S/C18H16ClN5O4/c19-14-8-11(9-22-24-20)6-7-13(14)17(26)23-15(18(27)28)10-21-16(25)12-4-2-1-3-5-12/h1-8,15H,9-10H2,(H,21,25)(H,23,26)(H,27,28)