4-[[(R)-benzotriazol-1-yl-(4-nitrophenyl)methyl]amino]benzoate

Systemtic Name: 4-[[(R)-benzotriazol-1-yl-(4-nitrophenyl)methyl]amino]benzoate Openeye Name: 4-[[(R)-benzotriazol-1-yl-(4-nitrophenyl)methyl]amino]benzoate CAS Name: 4-[[(R)-1-benzotriazolyl-(4-nitrophenyl)methyl]amino]benzoate IUPAC Name: 4-[[(R)-benzotriazol-1-yl-(4-nitrophenyl)methyl]amino]benzoate Traditional Name: 4-[[(R)-benzotriazol-1-yl-(4-nitrophenyl)methyl]amino]benzoate Formula: C20H14N5O4- MolecularWeight: 388.35626

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2C(C3=CC=C(C=C3)[N+](=O)[O-])NC4=CC=C(C=C4)C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2[C@H](C3=CC=C(C=C3)[N+](=O)[O-])NC4=CC=C(C=C4)C(=O)[O-]

InChI

InChI=1S/C20H15N5O4/c26-20(27)14-5-9-15(10-6-14)21-19(13-7-11-16(12-8-13)25(28)29)24-18-4-2-1-3-17(18)22-23-24/h1-12,19,21H,(H,26,27)/p-1/t19-/m1/s1