2-[2-hydroxyethyl-(phenylmethyl)amino]-3,5-dinitro-benzoate

Systemtic Name: 2-[2-hydroxyethyl-(phenylmethyl)amino]-3,5-dinitro-benzoate Openeye Name: 2-[benzyl(2-hydroxyethyl)amino]-3,5-dinitro-benzoate CAS Name: 2-[2-hydroxyethyl-(phenylmethyl)amino]-3,5-dinitrobenzoate IUPAC Name: 2-[benzyl(2-hydroxyethyl)amino]-3,5-dinitrobenzoate Traditional Name: 2-[benzyl(2-hydroxyethyl)amino]-3,5-dinitro-benzoate Formula: C16H14N3O7- MolecularWeight: 360.29826

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CCO)C2=C(C=C(C=C2C(=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN(CCO)C2=C(C=C(C=C2C(=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H15N3O7/c20-7-6-17(10-11-4-2-1-3-5-11)15-13(16(21)22)8-12(18(23)24)9-14(15)19(25)26/h1-5,8-9,20H,6-7,10H2,(H,21,22)/p-1