2-[(S)-benzotriazol-1-yl(phenylazanyl)methyl]-4-nitro-phenolate

Systemtic Name: 2-[(S)-benzotriazol-1-yl(phenylazanyl)methyl]-4-nitro-phenolate Openeye Name: 2-[(S)-anilino(benzotriazol-1-yl)methyl]-4-nitro-phenolate CAS Name: 2-[(S)-anilino(1-benzotriazolyl)methyl]-4-nitrophenolate IUPAC Name: 2-[(S)-anilino(benzotriazol-1-yl)methyl]-4-nitrophenolate Traditional Name: 2-[(S)-anilino(benzotriazol-1-yl)methyl]-4-nitro-phenolate Formula: C19H14N5O3- MolecularWeight: 360.34616

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(C2=C(C=CC(=C2)[N+](=O)[O-])[O-])N3C4=CC=CC=C4N=N3

Isomeric SMILES

C1=CC=C(C=C1)N[C@H](C2=C(C=CC(=C2)[N+](=O)[O-])[O-])N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C19H15N5O3/c25-18-11-10-14(24(26)27)12-15(18)19(20-13-6-2-1-3-7-13)23-17-9-5-4-8-16(17)21-22-23/h1-12,19-20,25H/p-1/t19-/m0/s1