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1,3-benzoxazol-2-ylmethyl 4-(methylamino)-3-nitro-benzoate

1,3-benzoxazol-2-ylmethyl 4-(methylamino)-3-nitro-benzoate

Systemtic Name:1,3-benzoxazol-2-ylmethyl 4-(methylamino)-3-nitro-benzoate
Openeye Name:1,3-benzoxazol-2-ylmethyl 4-(methylamino)-3-nitro-benzoate
CAS Name:4-(methylamino)-3-nitrobenzoic acid 1,3-benzoxazol-2-ylmethyl ester
IUPAC Name:1,3-benzoxazol-2-ylmethyl 4-(methylamino)-3-nitrobenzoate
Traditional Name:4-(methylamino)-3-nitro-benzoic acid 1,3-benzoxazol-2-ylmethyl ester
Formula: C16H13N3O5
MolecularWeight: 327.29152
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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)OCC2=NC3=CC=CC=C3O2)[N+](=O)[O-]


Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)OCC2=NC3=CC=CC=C3O2)[N+](=O)[O-]


InChI

InChI=1S/C16H13N3O5/c1-17-11-7-6-10(8-13(11)19(21)22)16(20)23-9-15-18-12-4-2-3-5-14(12)24-15/h2-8,17H,9H2,1H3


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