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ethyl 3,5-dinitro-4-[(phenylmethyl)amino]benzoate

ethyl 3,5-dinitro-4-[(phenylmethyl)amino]benzoate

Systemtic Name:ethyl 3,5-dinitro-4-[(phenylmethyl)amino]benzoate
Openeye Name:ethyl 4-(benzylamino)-3,5-dinitro-benzoate
CAS Name:3,5-dinitro-4-[(phenylmethyl)amino]benzoic acid ethyl ester
IUPAC Name:ethyl 4-(benzylamino)-3,5-dinitrobenzoate
Traditional Name:4-(benzylamino)-3,5-dinitro-benzoic acid ethyl ester
Formula: C16H15N3O6
MolecularWeight: 345.3068
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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])NCC2=CC=CC=C2)[N+](=O)[O-]


Isomeric SMILES

CCOC(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])NCC2=CC=CC=C2)[N+](=O)[O-]


InChI

InChI=1S/C16H15N3O6/c1-2-25-16(20)12-8-13(18(21)22)15(14(9-12)19(23)24)17-10-11-6-4-3-5-7-11/h3-9,17H,2,10H2,1H3


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