N-[(1R,2R)-1-(4-methoxyphenyl)-2-nitro-propyl]-3-nitro-aniline

Systemtic Name: N-[(1R,2R)-1-(4-methoxyphenyl)-2-nitro-propyl]-3-nitro-aniline Openeye Name: N-[(1R,2R)-1-(4-methoxyphenyl)-2-nitro-propyl]-3-nitro-aniline CAS Name: N-[(1R,2R)-1-(4-methoxyphenyl)-2-nitropropyl]-3-nitroaniline IUPAC Name: N-[(1R,2R)-1-(4-methoxyphenyl)-2-nitropropyl]-3-nitroaniline Traditional Name: [(1R,2R)-1-(4-methoxyphenyl)-2-nitro-propyl]-(3-nitrophenyl)amine Formula: C16H17N3O5 MolecularWeight: 331.32328

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=C(C=C1)OC)NC2=CC(=CC=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C[C@H]([C@@H](C1=CC=C(C=C1)OC)NC2=CC(=CC=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H17N3O5/c1-11(18(20)21)16(12-6-8-15(24-2)9-7-12)17-13-4-3-5-14(10-13)19(22)23/h3-11,16-17H,1-2H3/t11-,16+/m1/s1